3-methyl-4-(4-methyl-piperazine-carbonyl)-1H-pyrrole-2-carbaldehyde

HCID 22390955

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1c(C(=O)N2CCN(C)CC2)c[nH]c1C=O
InChIKey: AQQVHWBLRLKZLG-UHFFFAOYSA-N
분자식: C12H17N3O2
평균 분자량: 235.28 g/mol

이름 및 식별자

우선 이름: 3-methyl-4-(4-methyl-piperazine-carbonyl)-1H-pyrrole-2-carbaldehyde
IUPAC: 3-methyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde

이름 및 동의어

SCHEMBL6220703AQQVHWBLRLKZLG-UHFFFAOYSA-N3-methyl-4-(4-methyl-piperazine-1-carbonyl)-1H-pyrrole-2 carbaldehyde3-methyl-4-(4-methyl-piperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde3-methyl-4-(4-methyl-piperazine-carbonyl)-1H-pyrrole-2-carbaldehyde

데이터베이스 식별자

PubChem CID: 22390955

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 56.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 300

관련 반응

29건

반응 기록 만들기

HRID 122701반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 146122반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 148154생성물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 310547반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 671249반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 672701반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 690323반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 935270반응물로Validation data from https://doi.org/10.1039/C8SC04228D

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