2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone

C13H23NO — CID 130596842

IUPAC2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone
SMILESCC1CCCC(CC(=O)C2CCCN2)C1
InChIInChI=1S/C13H23NO/c1-10-4-2-5-11(8-10)9-13(15)12-6-3-7-14-12/h10-12,14H,2-9H2,1H3
InChIKeyOZBJIYHIIZXIFZ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.52
Rot. Bonds3

About 2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone

2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone (PubChem CID 130596842) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone
PubChem CID130596842
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone
SMILESCC1CCCC(CC(=O)C2CCCN2)C1
InChIInChI=1S/C13H23NO/c1-10-4-2-5-11(8-10)9-13(15)12-6-3-7-14-12/h10-12,14H,2-9H2,1H3
InChIKeyOZBJIYHIIZXIFZ-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pyrrolidin-2-yl)cyclohexan-1-one hydrochloride
CID 71755692
3-Methyl-1-(pyrrolidin-2-YL)butan-2-one
CID 23588201
(3S)-4-cyclohexyl-3-(methylamino)butan-2-one
CID 59960224
1-Azaspiro[4.5]decan-3-one
CID 67157664
1-[(2S)-4-fluoro-4-methylpyrrolidin-2-yl]-2-methylpropan-1-one
CID 68044509
1-(4-Fluoro-4-methylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 77400044
1-(4-Fluoropyrrolidin-2-yl)-2-methylbutan-1-one
CID 90709568
(5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one
CID 90988914
(5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one
CID 91441810
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-pentyloctan-1-one
CID 129068031
1-[(2S,4S)-4-fluoropyrrolidin-2-yl]-2-hexylnonan-1-one
CID 129068034
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-propylhexan-1-one
CID 129213517

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone?
The IUPAC name of 2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone (CID 130596842) is 2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone.
What is the SMILES notation for 2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone?
The canonical SMILES for 2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone is CC1CCCC(CC(=O)C2CCCN2)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone?
The InChIKey is OZBJIYHIIZXIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10-4-2-5-11(8-10)9-13(15)12-6-3-7-14-12/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone?
2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone has a molecular weight of 209.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)-1-pyrrolidin-2-ylethanone is sourced from PubChem (CID 130596842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).