4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one

C12H21NO — CID 165492170

IUPAC4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one
SMILESCC1CCN(C2CC(=O)CCC2C)C1
InChIInChI=1S/C12H21NO/c1-9-5-6-13(8-9)12-7-11(14)4-3-10(12)2/h9-10,12H,3-8H2,1-2H3
InChIKeyZPHXGPGVQFJVCY-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.09
Rot. Bonds1

About 4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one

4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one (PubChem CID 165492170) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one
PubChem CID165492170
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one
SMILESCC1CCN(C2CC(=O)CCC2C)C1
InChIInChI=1S/C12H21NO/c1-9-5-6-13(8-9)12-7-11(14)4-3-10(12)2/h9-10,12H,3-8H2,1-2H3
InChIKeyZPHXGPGVQFJVCY-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(1S)-1-hydroxyethyl]azetidin-1-yl]-4-methylcyclohexan-1-one
CID 165496137
4-methyl-3-(3-methylthiomorpholin-4-yl)cyclohexan-1-one
CID 165492165
3,4-dimethylcyclohexan-1-one;ethane
CID 142187716
1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one
CID 165499291
trans-(1R,2R)-2-(3-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 102734436
ethane;3-methylcyclopentan-1-one
CID 142926670
2-methyl-1-(2-methylcyclopentyl)piperidin-4-one
CID 63281253
1-cyclopropyl-3-methylpyrrolidine;ethane
CID 176992470
4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-ol
CID 61224263
4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine
CID 62691466
1-methyl-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione
CID 151645109
[2-(3-methylpyrrolidin-1-yl)cyclopropyl]methanol
CID 130643194

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one?
The IUPAC name of 4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one (CID 165492170) is 4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one?
The canonical SMILES for 4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one is CC1CCN(C2CC(=O)CCC2C)C1.
What is the InChIKey of 4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one?
The InChIKey is ZPHXGPGVQFJVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-5-6-13(8-9)12-7-11(14)4-3-10(12)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one?
4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylpyrrolidin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 165492170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).