(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride

C8H10ClNO2 — CID 94075728

IUPAC(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride
SMILESC=CCN1C[C@H](C(=O)Cl)CC1=O
InChIInChI=1S/C8H10ClNO2/c1-2-3-10-5-6(8(9)12)4-7(10)11/h2,6H,1,3-5H2/t6-/m1/s1
InChIKeyNTEPPPHMJKGEPY-ZCFIWIBFSA-N
MW187.63 g/mol
LogP0.79
Rot. Bonds3

About (3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride

(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride (PubChem CID 94075728) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is (3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride.

Molecular Properties

Compound Name(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride
PubChem CID94075728
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride
SMILESC=CCN1C[C@H](C(=O)Cl)CC1=O
InChIInChI=1S/C8H10ClNO2/c1-2-3-10-5-6(8(9)12)4-7(10)11/h2,6H,1,3-5H2/t6-/m1/s1
InChIKeyNTEPPPHMJKGEPY-ZCFIWIBFSA-N
XLogP0.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-oxo-1-prop-2-enylpiperidine-4-carboxylic acid
CID 83636339
4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one
CID 113181988
N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 134708371
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 95131890
formic acid;2-[4-[(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)amino]piperidin-1-yl]acetic acid
CID 154912573
5-oxo-1-prop-2-enyl-N-[1-(thian-4-yl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 131912773
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 113181982
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 50972094
(3R)-5-oxo-N-[(1S,6S,7R,8S)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1-prop-2-enylpyrrolidine-3-carboxamide
CID 92548302
N-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 171686508
4-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-1-prop-2-enylpyrrolidin-2-one
CID 131946642

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride?
The IUPAC name of (3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride (CID 94075728) is (3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride.
What is the SMILES notation for (3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride?
The canonical SMILES for (3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride is C=CCN1C[C@H](C(=O)Cl)CC1=O.
What is the InChIKey of (3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride?
The InChIKey is NTEPPPHMJKGEPY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-2-3-10-5-6(8(9)12)4-7(10)11/h2,6H,1,3-5H2/t6-/m1/s1.
What are the key properties of (3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride?
(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride has a molecular weight of 187.63 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride is sourced from PubChem (CID 94075728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).