5-Dimethylaminomethylene-4-oxo-1,4,5,6,7,8-hexahydro-cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester

HCID 59072052

기본 정보

표준 SMILES
CCOC(=O)c1c[nH]c2c1C(=O)C(=CN(C)C)CCC2
InChIKey
FIQUGFFMSFBIHK-UHFFFAOYSA-N
분자식
C15H20N2O3
평균 분자량
276.33 g/mol

이름 및 식별자

우선 이름
5-Dimethylaminomethylene-4-oxo-1,4,5,6,7,8-hexahydro-cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester
IUPAC
ethyl 5-(dimethylaminomethylidene)-4-oxo-1,6,7,8-tetrahydrocyclohepta[b]pyrrole-3-carboxylate

이름 및 동의어

SCHEMBL6302715FIQUGFFMSFBIHK-UHFFFAOYSA-N5-dimethylaminomethylene-4-oxo-1,4,5,6,7,8-hexahydro-cyclohepta [b] pyrrole-3-carboxylic acid ethyl ester5-dimethylaminomethylene-4-oxo-1,4,5,6,7,8-hexahydro-cyclohepta [b]pyrrole-3-carboxylic acid ethyl ester5-dimethylaminomethylene-4-oxo-1,4,5,6,7,8-hexahydro-cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester5-dimethylaminomethylene-4-oxo-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-3-carboxylic acid ethyl ester

데이터베이스 식별자

PubChem CID
59072052

물성

구조 계산 물성

XLogP
1.8
극성 표면적
62.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
20

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6건

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