2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride

C9H12ClNO2 — CID 57184729

IUPAC2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride
SMILESC=CCN1C(=O)CC[C@H]1CC(=O)Cl
InChIInChI=1S/C9H12ClNO2/c1-2-5-11-7(6-8(10)12)3-4-9(11)13/h2,7H,1,3-6H2/t7-/m0/s1
InChIKeyOGHRGUHBFZHTBM-ZETCQYMHSA-N
MW201.65 g/mol
LogP1.32
Rot. Bonds4

About 2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride

2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride (PubChem CID 57184729) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride.

Molecular Properties

Compound Name2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride
PubChem CID57184729
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride
SMILESC=CCN1C(=O)CC[C@H]1CC(=O)Cl
InChIInChI=1S/C9H12ClNO2/c1-2-5-11-7(6-8(10)12)3-4-9(11)13/h2,7H,1,3-6H2/t7-/m0/s1
InChIKeyOGHRGUHBFZHTBM-ZETCQYMHSA-N
XLogP1.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.32
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

(5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one
CID 11286664
(5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one
CID 118169161
(5S)-5-[2-(benzylamino)ethyl]-1-prop-2-enylpyrrolidin-2-one
CID 42164276
(5S)-5-[(4-methylphenyl)sulfonylmethyl]-1-prop-2-enylpyrrolidin-2-one
CID 11437826
(3aR,7aR)-1-(3-fluorocyclobutanecarbonyl)-4-prop-2-enyl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 131680994
1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one
CID 121221572
5-(aminomethyl)-1-(3-methylbut-2-enyl)pyrrolidin-2-one
CID 82503999
(3aR,7aR)-1-(cyclopropylmethyl)-4-prop-2-enyl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97379263
(6R)-3-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one
CID 118169159
(3aR,7aR)-1-cyclopropylsulfonyl-4-prop-2-enyl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97379267
7-[2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid
CID 71386748
(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl chloride
CID 94075728

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride?
The IUPAC name of 2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride (CID 57184729) is 2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride.
What is the SMILES notation for 2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride?
The canonical SMILES for 2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride is C=CCN1C(=O)CC[C@H]1CC(=O)Cl.
What is the InChIKey of 2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride?
The InChIKey is OGHRGUHBFZHTBM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-2-5-11-7(6-8(10)12)3-4-9(11)13/h2,7H,1,3-6H2/t7-/m0/s1.
What are the key properties of 2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride?
2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride has a molecular weight of 201.65 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]acetyl chloride is sourced from PubChem (CID 57184729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).