Methyl 2-{2-hydroxy-1-[(methyloxy)carbonyl]ethenyl}-1-methyl-1H-pyrrole-3-carboxylate
기본 정보
- CAS
871819-40-8- 표준 SMILES
COC(=O)C(=CO)c1c(C(=O)OC)ccn1C- InChIKey
DCOCRSQMINPMPS-UHFFFAOYSA-N- 분자식
- C11H13NO5
- 평균 분자량
- 239.22 g/mol
- 단동위원소 질량
- 239.07937252
이름 및 식별자
- 우선 이름
- Methyl 2-{2-hydroxy-1-[(methyloxy)carbonyl]ethenyl}-1-methyl-1H-pyrrole-3-carboxylate
- IUPAC
- methyl 2-(1-hydroxy-3-methoxy-3-oxoprop-1-en-2-yl)-1-methylpyrrole-3-carboxylate
이름 및 동의어
SCHEMBL3991021DCOCRSQMINPMPS-UHFFFAOYSA-NDTXSID4011403762-(2-Hydroxy-1-methoxycarbonyl-vinyl)-1-methyl-1H-pyrrole-3-carboxylic acid methyl esterMethyl 2-(1-hydroxy-3-methoxy-3-oxoprop-1-en-2-yl)-1-methyl-1H-pyrrole-3-carboxylateMethyl 2-{2-hydroxy-1-[(methyloxy)carbonyl]ethenyl}-1-methyl-1H-pyrrole-3-carboxylateMethyl I+/--(hydroxymethylene)-3-(methoxycarbonyl)-1-methyl-1H-pyrrole-2-acetate871819-40-8
데이터베이스 식별자
- CAS
871819-40-8- PubChem CID
- 68867490
- DTXSID
DTXSID401140376
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 77.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 339
관련 반응
8건
화합물 노트
불러오는 중…