2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one

C17H24N2O — CID 79545951

IUPAC2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1CCc1ccncc1
InChIInChI=1S/C17H24N2O/c20-17-6-2-1-4-15(17)16-5-3-12-19(16)13-9-14-7-10-18-11-8-14/h7-8,10-11,15-16H,1-6,9,12-13H2
InChIKeyAVUBNODBDHBZLW-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.85
Rot. Bonds4

About 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79545951) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79545951
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1CCc1ccncc1
InChIInChI=1S/C17H24N2O/c20-17-6-2-1-4-15(17)16-5-3-12-19(16)13-9-14-7-10-18-11-8-14/h7-8,10-11,15-16H,1-6,9,12-13H2
InChIKeyAVUBNODBDHBZLW-UHFFFAOYSA-N
XLogP2.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 103002711
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one
CID 103002715
1-(2-pyridin-4-ylethyl)piperidine-2-carbaldehyde
CID 62656422
2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79549274
2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79546696
2-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 114472642
2-[1-(2-methoxyethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553024
[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methanol
CID 60649309
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid
CID 61372298
2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549060
2-[1-(2-methylpropyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79548618
2-(1-octylpiperidin-2-yl)cyclohexan-1-one
CID 79539887

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 79545951) is 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCN1CCc1ccncc1.
What is the InChIKey of 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is AVUBNODBDHBZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17-6-2-1-4-15(17)16-5-3-12-19(16)13-9-14-7-10-18-11-8-14/h7-8,10-11,15-16H,1-6,9,12-13H2.
What are the key properties of 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79545951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).