1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one

C17H22N2O — CID 43205667

IUPAC1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(NCC2CC=CCC2)c1
InChIInChI=1S/C17H22N2O/c20-17-10-5-11-19(17)16-9-4-8-15(12-16)18-13-14-6-2-1-3-7-14/h1-2,4,8-9,12,14,18H,3,5-7,10-11,13H2
InChIKeyNQVKIOHZSFVAQE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.58
Rot. Bonds4

About 1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one

1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one (PubChem CID 43205667) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one
PubChem CID43205667
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(NCC2CC=CCC2)c1
InChIInChI=1S/C17H22N2O/c20-17-10-5-11-19(17)16-9-4-8-15(12-16)18-13-14-6-2-1-3-7-14/h1-2,4,8-9,12,14,18H,3,5-7,10-11,13H2
InChIKeyNQVKIOHZSFVAQE-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
CID 103438856
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one
CID 43362855
1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one
CID 168597538
1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680051
1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 81411006
5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115652504
1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 28781574
1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one
CID 115652503
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one
CID 104749314

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one (CID 43205667) is 1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(NCC2CC=CCC2)c1.
What is the InChIKey of 1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one?
The InChIKey is NQVKIOHZSFVAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-17-10-5-11-19(17)16-9-4-8-15(12-16)18-13-14-6-2-1-3-7-14/h1-2,4,8-9,12,14,18H,3,5-7,10-11,13H2.
What are the key properties of 1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one?
1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43205667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).