5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one

C12H19NO2 — CID 161405841

IUPAC5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one
SMILESCC1C=CC(C2CC(=O)N(C)C2O)CC1
InChIInChI=1S/C12H19NO2/c1-8-3-5-9(6-4-8)10-7-11(14)13(2)12(10)15/h3,5,8-10,12,15H,4,6-7H2,1-2H3
InChIKeyVUVBVDRYEAVWBQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.39
Rot. Bonds1

About 5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one

5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one (PubChem CID 161405841) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one
PubChem CID161405841
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one
SMILESCC1C=CC(C2CC(=O)N(C)C2O)CC1
InChIInChI=1S/C12H19NO2/c1-8-3-5-9(6-4-8)10-7-11(14)13(2)12(10)15/h3,5,8-10,12,15H,4,6-7H2,1-2H3
InChIKeyVUVBVDRYEAVWBQ-UHFFFAOYSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.39
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

(E,2R)-1-[(2R)-2-hydroxypyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione
CID 163047479
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CID 21725610
7-(2-hydroxyethyl)-2-methyl-4,5,5a,8,9,9a-hexahydro-1H-2-benzazepin-3-one
CID 101016448
(3aS,4R,7R,7aR)-4-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-2,7-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 10493798
(3aR,4S,7S,7aS)-4-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-2,7-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 10637330
3-hydroxy-2-methyl-3a,4,7,7a-tetrahydro-3H-isoindol-1-one
CID 12394612
N,N-diethyl-3-(hydroxymethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 12873888
2-(6-Hydroxyhexyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione
CID 20386310
6-(hydroxymethyl)-N-methyl-N-octadecylcyclohex-3-ene-1-carboxamide
CID 21266126
5-Hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 49756276
3-But-2-enyl-4-[hydroxy(oxan-2-yl)methyl]-1-methylpyrrolidin-2-one
CID 70622563
3-hydroxy-2-methoxy-4,7-dimethyl-3a,4,7,7a-tetrahydro-3H-isoindol-1-one
CID 89230086

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one (CID 161405841) is 5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one is CC1C=CC(C2CC(=O)N(C)C2O)CC1.
What is the InChIKey of 5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one?
The InChIKey is VUVBVDRYEAVWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-3-5-9(6-4-8)10-7-11(14)13(2)12(10)15/h3,5,8-10,12,15H,4,6-7H2,1-2H3.
What are the key properties of 5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one?
5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-4-(4-methylcyclohex-2-en-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 161405841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).