13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one

C22H41NO — CID 91705040

IUPAC13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one
SMILESO=C(CCCCCCCCCCCCC1CCCC1)N1CCCC1
InChIInChI=1S/C22H41NO/c24-22(23-19-13-14-20-23)18-10-8-6-4-2-1-3-5-7-9-15-21-16-11-12-17-21/h21H,1-20H2
InChIKeyAAZBKBQNRVTSIH-UHFFFAOYSA-N
MW335.58 g/mol
LogP6.48
Rot. Bonds13

About 13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one

13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one (PubChem CID 91705040) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is 13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one.

Molecular Properties

Compound Name13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one
PubChem CID91705040
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Name13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one
SMILESO=C(CCCCCCCCCCCCC1CCCC1)N1CCCC1
InChIInChI=1S/C22H41NO/c24-22(23-19-13-14-20-23)18-10-8-6-4-2-1-3-5-7-9-15-21-16-11-12-17-21/h21H,1-20H2
InChIKeyAAZBKBQNRVTSIH-UHFFFAOYSA-N
XLogP6.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 574649

Frequently Asked Questions

What is the IUPAC name of 13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one?
The IUPAC name of 13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one (CID 91705040) is 13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one.
What is the SMILES notation for 13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one?
The canonical SMILES for 13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one is O=C(CCCCCCCCCCCCC1CCCC1)N1CCCC1.
What is the InChIKey of 13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one?
The InChIKey is AAZBKBQNRVTSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO/c24-22(23-19-13-14-20-23)18-10-8-6-4-2-1-3-5-7-9-15-21-16-11-12-17-21/h21H,1-20H2.
What are the key properties of 13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one?
13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one has a molecular weight of 335.58 g/mol, XLogP of 6.48, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one is sourced from PubChem (CID 91705040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).