3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one

C13H19NO2 — CID 131332801

IUPAC3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one
SMILESC=CN1CCC(C(=O)C2CCCCC2)C1=O
InChIInChI=1S/C13H19NO2/c1-2-14-9-8-11(13(14)16)12(15)10-6-4-3-5-7-10/h2,10-11H,1,3-9H2
InChIKeyMYSRCDQJLAMBIO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.13
Rot. Bonds3

About 3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one

3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one (PubChem CID 131332801) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one
PubChem CID131332801
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one
SMILESC=CN1CCC(C(=O)C2CCCCC2)C1=O
InChIInChI=1S/C13H19NO2/c1-2-14-9-8-11(13(14)16)12(15)10-6-4-3-5-7-10/h2,10-11H,1,3-9H2
InChIKeyMYSRCDQJLAMBIO-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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1-ethenyl-3-propan-2-ylpyrrolidin-2-one
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CID 173018003
1-ethenyl-3-ethylazepan-2-one
CID 18935097
dicyclohexylmethanone;formaldehyde
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ethenyl 2-chloro-2-(1-ethenyl-2-oxopyrrolidin-3-yl)acetate
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CID 144802313
4-[2-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-oxoethyl]benzenesulfinate
CID 142075603
6-[(Z)-2-methylbut-2-enoyl]oxyhexyl 1-ethenyl-2-oxopyrrolidine-3-carboxylate
CID 158590908
1-ethenyl-3-ethylpyrrolidin-2-one
CID 14205343
2-[(1-ethenyl-2-oxopyrrolidine-3-carbonyl)amino]ethyl (Z)-2-methylbut-2-enoate
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bis(1-ethenylpiperidin-2-yl)methanone
CID 174822016

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one?
The IUPAC name of 3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one (CID 131332801) is 3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one.
What is the SMILES notation for 3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one?
The canonical SMILES for 3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one is C=CN1CCC(C(=O)C2CCCCC2)C1=O.
What is the InChIKey of 3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one?
The InChIKey is MYSRCDQJLAMBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-14-9-8-11(13(14)16)12(15)10-6-4-3-5-7-10/h2,10-11H,1,3-9H2.
What are the key properties of 3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one?
3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonyl)-1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 131332801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).