7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one

HCID 58044202

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1346674-23-4
표준 SMILES: CC1(C)Cc2cc3n(c2C1)CCNC3=O
InChIKey: XIUNFLQSJSCQRM-UHFFFAOYSA-N
분자식: C12H16N2O
평균 분자량: 204.27 g/mol

이름 및 식별자

우선 이름: 7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one
IUPAC: 4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
영어명: 3,4,7,8-tetrahydro-7,7-dimethyl-2H-Cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one
분자식: C12H16N2O
분자량: 204.27

이름 및 동의어

1346674-23-47,7-dimethyl-3,4,7,8-tetrahydro-2h-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6h)-one7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazin-1(6H)-oneRefChem:544775807-155-07,7-Dimethyl-2,3,4,6,7,8-hexahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1-one3,4,7,8-tetrahydro-7,7-dimethyl-2H-Cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-oneMFCD246194324,4-Dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-oneC12H16N2OAKOS027393788SY122644

이름 더 보기

4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,?]dodeca-2(6),7-dien-9-one4,4-DIMETHYL-1,10-DIAZATRICYCLO[6.4.0.0(2,6)]DODECA-2(6),7-DIEN-9-ONE*4,4-DIMETHYL-1,10-DIAZATRICYCLO[6.4.0.0(2,6)]DODECA-2(6),7-DIEN-9-ONE(WX116139)2H-Cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, 3,4,7,8-tetrahydro-7,7-dimethyl-3,4,7,8-tetrahydro-7,7-dimethyl-2H-cyclopentylenebenzo[4,5]pyridinebenzo[1,2-a]pyridineazine-1(6H)-one

F191484,4-dimethyl-1,10-diazSCHEMBL10255826AS-48139DB-193514CS-0021550F5446674,4-dimethyl-1,10-diazatricyclo[6.4.0.0(2),]dodeca-2(6),7-dien-9-one

데이터베이스 식별자

CAS: 1346674-23-4
PubChem CID: 58044202
EC Number: 807-155-0
Nikkaji: J3.567.925A

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 34 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 300

물리화학적 성질

끓는 점: 456.4 · 456.4±44.0 °C(Predicted)
밀도: 1.3 · 1.30±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 14.82 · 14.82±0.40(Predicted)
InChI: InChI=1S/C12H16N2O/c1-12(2)6-8-5-9-11(15)13-3-4-14(9)10(8)7-12/h5H,3-4,6-7H2,1-2H3,(H,13,15)
InChIKey: XIUNFLQSJSCQRM-UHFFFAOYSA-N
SMILES: C12=CC3CC(C)(C)CC=3N1CCNC2=O