3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one

C17H22N2O — CID 119127762

IUPAC3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one
SMILESO=C1C(NCC2CC=CCC2)CCN1c1ccccc1
InChIInChI=1S/C17H22N2O/c20-17-16(18-13-14-7-3-1-4-8-14)11-12-19(17)15-9-5-2-6-10-15/h1-3,5-6,9-10,14,16,18H,4,7-8,11-13H2
InChIKeyHBOGWYZCNANITO-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.74
Rot. Bonds4

About 3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one

3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one (PubChem CID 119127762) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one
PubChem CID119127762
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one
SMILESO=C1C(NCC2CC=CCC2)CCN1c1ccccc1
InChIInChI=1S/C17H22N2O/c20-17-16(18-13-14-7-3-1-4-8-14)11-12-19(17)15-9-5-2-6-10-15/h1-3,5-6,9-10,14,16,18H,4,7-8,11-13H2
InChIKeyHBOGWYZCNANITO-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one (CID 119127762) is 3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one is O=C1C(NCC2CC=CCC2)CCN1c1ccccc1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one?
The InChIKey is HBOGWYZCNANITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-17-16(18-13-14-7-3-1-4-8-14)11-12-19(17)15-9-5-2-6-10-15/h1-3,5-6,9-10,14,16,18H,4,7-8,11-13H2.
What are the key properties of 3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one?
3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one has a molecular weight of 270.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethylamino)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 119127762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).