(5S)-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one

HCID 11094992CAS 163849-08-9

기본 정보

표준 SMILES: Cc1cc([C@@H]2CCC(=O)N2)on1
InChIKey: ACJNGHUXJVMXRT-LURJTMIESA-N
분자식: C8H10N2O2
평균 분자량: 166.18 g/mol

이름 및 식별자

우선 이름: (5S)-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one
IUPAC: (5S)-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one
영어명: 2-Pyrrolidinone,5-(3-methyl-5-isoxazolyl)-,(S)-(9CI)
분자식: C8H10N2O2
분자량: 166.18

이름 및 동의어

163849-08-9(5S)-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-oneRefChem:404470864-281-9(S)-5-(3-Methylisoxazol-5-yl)pyrrolidin-2-one2-Pyrrolidinone,5-(3-methyl-5-isoxazolyl)-,(S)-(9CI)SCHEMBL7814215ACJNGHUXJVMXRT-LURJTMIESA-N5(S)-(3-methyl-5-isoxazolyl)-2-pyrrolidinone5(S)-(3 -methyl-5-isoxazolyl)-2-pyrrolidinoneEN300-7818692

데이터베이스 식별자

CAS: 163849-08-9
PubChem CID: 11094992
EC Number: 864-281-9

물성

구조 계산 물성

XLogP: 0
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 195

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.