1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one

C14H23NO3 — CID 139316574

IUPAC1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one
SMILESCC(=O)C1CCC(CN2C(=O)CC(C)C2O)CC1
InChIInChI=1S/C14H23NO3/c1-9-7-13(17)15(14(9)18)8-11-3-5-12(6-4-11)10(2)16/h9,11-12,14,18H,3-8H2,1-2H3
InChIKeyMMOXIAHDNGVJSU-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.57
Rot. Bonds3

About 1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one

1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one (PubChem CID 139316574) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one
PubChem CID139316574
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one
SMILESCC(=O)C1CCC(CN2C(=O)CC(C)C2O)CC1
InChIInChI=1S/C14H23NO3/c1-9-7-13(17)15(14(9)18)8-11-3-5-12(6-4-11)10(2)16/h9,11-12,14,18H,3-8H2,1-2H3
InChIKeyMMOXIAHDNGVJSU-UHFFFAOYSA-N
XLogP1.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one?
The IUPAC name of 1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one (CID 139316574) is 1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one is CC(=O)C1CCC(CN2C(=O)CC(C)C2O)CC1.
What is the InChIKey of 1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one?
The InChIKey is MMOXIAHDNGVJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9-7-13(17)15(14(9)18)8-11-3-5-12(6-4-11)10(2)16/h9,11-12,14,18H,3-8H2,1-2H3.
What are the key properties of 1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one?
1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one has a molecular weight of 253.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetylcyclohexyl)methyl]-5-hydroxy-4-methylpyrrolidin-2-one is sourced from PubChem (CID 139316574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).