4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one

C12H21NO2 — CID 130877771

IUPAC4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one
SMILESCC1(CO)CCN(C2CCC(=O)CC2)C1
InChIInChI=1S/C12H21NO2/c1-12(9-14)6-7-13(8-12)10-2-4-11(15)5-3-10/h10,14H,2-9H2,1H3
InChIKeyCVFFMOQWKRWCIA-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.20
Rot. Bonds2

About 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one

4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one (PubChem CID 130877771) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one
PubChem CID130877771
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one
SMILESCC1(CO)CCN(C2CCC(=O)CC2)C1
InChIInChI=1S/C12H21NO2/c1-12(9-14)6-7-13(8-12)10-2-4-11(15)5-3-10/h10,14H,2-9H2,1H3
InChIKeyCVFFMOQWKRWCIA-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-2-one
CID 130964424
N,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide
CID 106322709
(1-cyclopentyl-4-methylpiperidin-4-yl)methanol
CID 83915889
4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one
CID 114762064
4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one
CID 130826077
4-(3,3-difluoroazetidin-1-yl)cyclohexan-1-one
CID 89330353
4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol
CID 127006344
2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid
CID 117013254
ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate
CID 169225994
4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one
CID 114762063
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]cyclohexan-1-one
CID 114802980
1-cyclopropyl-3,3-dimethylpiperidin-4-one
CID 117024261

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one?
The IUPAC name of 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one (CID 130877771) is 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one?
The canonical SMILES for 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one is CC1(CO)CCN(C2CCC(=O)CC2)C1.
What is the InChIKey of 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one?
The InChIKey is CVFFMOQWKRWCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(9-14)6-7-13(8-12)10-2-4-11(15)5-3-10/h10,14H,2-9H2,1H3.
What are the key properties of 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one?
4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]cyclohexan-1-one is sourced from PubChem (CID 130877771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).