Ethyl 4-oxo-1,4,5,6,7,8-hexahydrocyclohepta[B]pyrrole-3-carboxylate

HCID 18696565

기본 정보

표준 SMILES
CCOC(=O)c1c[nH]c2c1C(=O)CCCC2
InChIKey
PQLOIWYFDWGKSQ-UHFFFAOYSA-N
분자식
C12H15NO3
평균 분자량
221.25 g/mol

이름 및 식별자

우선 이름
Ethyl 4-oxo-1,4,5,6,7,8-hexahydrocyclohepta[B]pyrrole-3-carboxylate
IUPAC
ethyl 4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylate

이름 및 동의어

4-oxo-1,4,5,6,7,8-hexahydro-cyclohepta(b)pyrrole-3-carboxylic acid ethyl ester4-oxo-1,4,5,6,7,8-hexahydro-cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester4-oxo-1,4,5,6,7,8-hexahydrocyclohepta(b)pyrrole-3-carboxylic acid ethyl ester4-oxo-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-3-carboxylic acid ethyl ester202209-74-3SCHEMBL6305765PQLOIWYFDWGKSQ-UHFFFAOYSA-NDA-34693ethyl 4-oxo-1,4,5,6,7,8-hexahydro-cyclohepta[b]pyrrole-3-carboxylateETHYL 4-OXO-1,4,5,6,7,8-HEXAHYDROCYCLOHEPTA[B]PYRROLE-3-CARBOXYLATE

데이터베이스 식별자

PubChem CID
18696565

물성

구조 계산 물성

XLogP
1.4
극성 표면적
59.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
16

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10건

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