3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one

C11H19NO — CID 10866954

IUPAC3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one
SMILESCN1CCCC1C1CCCC(=O)C1
InChIInChI=1S/C11H19NO/c1-12-7-3-6-11(12)9-4-2-5-10(13)8-9/h9,11H,2-8H2,1H3
InChIKeySGBYCQGACZZSSC-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds1

About 3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one

3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one (PubChem CID 10866954) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one
PubChem CID10866954
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one
SMILESCN1CCCC1C1CCCC(=O)C1
InChIInChI=1S/C11H19NO/c1-12-7-3-6-11(12)9-4-2-5-10(13)8-9/h9,11H,2-8H2,1H3
InChIKeySGBYCQGACZZSSC-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one (CID 10866954) is 3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one is CN1CCCC1C1CCCC(=O)C1.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one?
The InChIKey is SGBYCQGACZZSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12-7-3-6-11(12)9-4-2-5-10(13)8-9/h9,11H,2-8H2,1H3.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one?
3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)cyclohexan-1-one is sourced from PubChem (CID 10866954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).