(3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone

C13H23NO — CID 164649085

IUPAC(3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone
SMILESCC1CCCC(C(=O)C2CCN(C)C2)C1
InChIInChI=1S/C13H23NO/c1-10-4-3-5-11(8-10)13(15)12-6-7-14(2)9-12/h10-12H,3-9H2,1-2H3
InChIKeyAFOLITNHXFMIMQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.33
Rot. Bonds2

About (3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone

(3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone (PubChem CID 164649085) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone
PubChem CID164649085
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone
SMILESCC1CCCC(C(=O)C2CCN(C)C2)C1
InChIInChI=1S/C13H23NO/c1-10-4-3-5-11(8-10)13(15)12-6-7-14(2)9-12/h10-12H,3-9H2,1-2H3
InChIKeyAFOLITNHXFMIMQ-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylcyclohexyl)-(4-methylmorpholin-2-yl)methanone
CID 79077097
tert-butyl 3-(3-methylcyclohexanecarbonyl)pyrrolidine-1-carboxylate
CID 107092003
(1-methylpyrrolidin-3-yl)-piperidin-3-ylmethanone
CID 116916955
cycloheptyl-(1-methylpiperidin-4-yl)methanone
CID 144802313
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanone
CID 114976402
cycloheptyl-(3-methylcyclopentyl)methanone
CID 82931083
cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate
CID 91799283
methyl (1S)-3-methylcyclohexane-1-carboxylate
CID 89338226
cis-[(1R,3S)-3-methylcyclohexanecarbonyl] (1S,3R)-3-methylcyclohexane-1-carboxylate
CID 98119844
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carbothioic S-acid
CID 116918903

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone (CID 164649085) is (3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone is CC1CCCC(C(=O)C2CCN(C)C2)C1.
What is the InChIKey of (3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone?
The InChIKey is AFOLITNHXFMIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10-4-3-5-11(8-10)13(15)12-6-7-14(2)9-12/h10-12H,3-9H2,1-2H3.
What are the key properties of (3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone?
(3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone has a molecular weight of 209.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-(1-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 164649085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).