4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one

C14H19NO2 — CID 86010840

IUPAC4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one
SMILESC=CCC1C=C(C(=O)N2CCCC2)C(=O)CC1
InChIInChI=1S/C14H19NO2/c1-2-5-11-6-7-13(16)12(10-11)14(17)15-8-3-4-9-15/h2,10-11H,1,3-9H2
InChIKeyZGJPNOUMHIGBGI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.09
Rot. Bonds3

About 4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one

4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one (PubChem CID 86010840) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one
PubChem CID86010840
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one
SMILESC=CCC1C=C(C(=O)N2CCCC2)C(=O)CC1
InChIInChI=1S/C14H19NO2/c1-2-5-11-6-7-13(16)12(10-11)14(17)15-8-3-4-9-15/h2,10-11H,1,3-9H2
InChIKeyZGJPNOUMHIGBGI-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

Dqhmitdfluthsw-uhfffaoysa-
CID 21575206
3-acetyl-1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 10154841
1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one
CID 12043988
(1S,2S,6S,7R)-N,N-diethyl-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxamide
CID 135068523
(Bicyclo[2.2.1]hept-2-en-2-yl)(pyrrolidin-1-yl)methanone
CID 139030391
(E)-2-methyl-1-pyrrolidin-1-yldec-8-ene-1,3-dione
CID 10514913
(4aS)-1,4a-dimethyl-7-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5,6-dihydronaphthalen-2-one
CID 11822686
2-Prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-3-en-1-one
CID 86010835
1-[(E)-dec-2-enoyl]-5-(2-methylpropyl)pyrrolidine-2,4-dione
CID 11289782
1-Methyl-3-(3-oxocyclohexen-1-yl)pyrrolidin-2-one
CID 12665514
1-[6-(2,5-Dioxocyclopent-3-en-1-yl)hexyl]pyrrole-2,5-dione
CID 53833228
3-(3-Cyclododecylprop-2-enoyl)-1-methylpyrrolidine-2,4-dione
CID 57109912

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one?
The IUPAC name of 4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one (CID 86010840) is 4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one.
What is the SMILES notation for 4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one?
The canonical SMILES for 4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one is C=CCC1C=C(C(=O)N2CCCC2)C(=O)CC1.
What is the InChIKey of 4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one?
The InChIKey is ZGJPNOUMHIGBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-5-11-6-7-13(16)12(10-11)14(17)15-8-3-4-9-15/h2,10-11H,1,3-9H2.
What are the key properties of 4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one?
4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)cyclohex-2-en-1-one is sourced from PubChem (CID 86010840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).