4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one

C14H25NO2 — CID 168661983

IUPAC4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one
SMILESCC(C)C1CCC(N2CC(CO)CC2=O)CC1
InChIInChI=1S/C14H25NO2/c1-10(2)12-3-5-13(6-4-12)15-8-11(9-16)7-14(15)17/h10-13,16H,3-9H2,1-2H3
InChIKeyDCWOCPKOUZVWBM-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.04
Rot. Bonds3

About 4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one (PubChem CID 168661983) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one
PubChem CID168661983
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one
SMILESCC(C)C1CCC(N2CC(CO)CC2=O)CC1
InChIInChI=1S/C14H25NO2/c1-10(2)12-3-5-13(6-4-12)15-8-11(9-16)7-14(15)17/h10-13,16H,3-9H2,1-2H3
InChIKeyDCWOCPKOUZVWBM-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 117005596
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
[5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide
CID 168680639
4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one
CID 168701862
4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one
CID 168662980
ethyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate
CID 168662115
4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one
CID 117005709
tert-butyl (1R,5S)-3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 168661507
1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one
CID 115892571
1-cyclopropyl-4-propan-2-ylpiperidin-2-one
CID 154930951
4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one
CID 117005880

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one (CID 168661983) is 4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one is CC(C)C1CCC(N2CC(CO)CC2=O)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one?
The InChIKey is DCWOCPKOUZVWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(2)12-3-5-13(6-4-12)15-8-11(9-16)7-14(15)17/h10-13,16H,3-9H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one has a molecular weight of 239.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 168661983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).