2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one

C16H27NO — CID 79543645

IUPAC2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCC1CCC(N2CCCC2C2CCCC2=O)CC1
InChIInChI=1S/C16H27NO/c1-12-7-9-13(10-8-12)17-11-3-5-15(17)14-4-2-6-16(14)18/h12-15H,2-11H2,1H3
InChIKeyLDDGQJVCCZTETF-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.40
Rot. Bonds2

About 2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79543645) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79543645
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCC1CCC(N2CCCC2C2CCCC2=O)CC1
InChIInChI=1S/C16H27NO/c1-12-7-9-13(10-8-12)17-11-3-5-15(17)14-4-2-6-16(14)18/h12-15H,2-11H2,1H3
InChIKeyLDDGQJVCCZTETF-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 79543645) is 2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one is CC1CCC(N2CCCC2C2CCCC2=O)CC1.
What is the InChIKey of 2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is LDDGQJVCCZTETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12-7-9-13(10-8-12)17-11-3-5-15(17)14-4-2-6-16(14)18/h12-15H,2-11H2,1H3.
What are the key properties of 2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 249.40 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79543645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).