24-methyl-1-pyrrolidin-1-ylhexacosan-1-one

C31H61NO — CID 86022780

IUPAC24-methyl-1-pyrrolidin-1-ylhexacosan-1-one
SMILESCCC(C)CCCCCCCCCCCCCCCCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C31H61NO/c1-3-30(2)26-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-27-31(33)32-28-24-25-29-32/h30H,3-29H2,1-2H3
InChIKeyJGBYTSRVFNYPBV-UHFFFAOYSA-N
MW463.84 g/mol
LogP10.24
Rot. Bonds24

About 24-methyl-1-pyrrolidin-1-ylhexacosan-1-one

24-methyl-1-pyrrolidin-1-ylhexacosan-1-one (PubChem CID 86022780) has the molecular formula C31H61NO and a molecular weight of 463.84 g/mol. Its IUPAC name is 24-methyl-1-pyrrolidin-1-ylhexacosan-1-one.

Molecular Properties

Compound Name24-methyl-1-pyrrolidin-1-ylhexacosan-1-one
PubChem CID86022780
Molecular FormulaC31H61NO
Molecular Weight463.84 g/mol
Exact Mass463.48
IUPAC Name24-methyl-1-pyrrolidin-1-ylhexacosan-1-one
SMILESCCC(C)CCCCCCCCCCCCCCCCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C31H61NO/c1-3-30(2)26-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-27-31(33)32-28-24-25-29-32/h30H,3-29H2,1-2H3
InChIKeyJGBYTSRVFNYPBV-UHFFFAOYSA-N
XLogP10.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.84
LogP ≤ 510.24
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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Frequently Asked Questions

What is the IUPAC name of 24-methyl-1-pyrrolidin-1-ylhexacosan-1-one?
The IUPAC name of 24-methyl-1-pyrrolidin-1-ylhexacosan-1-one (CID 86022780) is 24-methyl-1-pyrrolidin-1-ylhexacosan-1-one.
What is the SMILES notation for 24-methyl-1-pyrrolidin-1-ylhexacosan-1-one?
The canonical SMILES for 24-methyl-1-pyrrolidin-1-ylhexacosan-1-one is CCC(C)CCCCCCCCCCCCCCCCCCCCCCC(=O)N1CCCC1.
What is the InChIKey of 24-methyl-1-pyrrolidin-1-ylhexacosan-1-one?
The InChIKey is JGBYTSRVFNYPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H61NO/c1-3-30(2)26-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-27-31(33)32-28-24-25-29-32/h30H,3-29H2,1-2H3.
What are the key properties of 24-methyl-1-pyrrolidin-1-ylhexacosan-1-one?
24-methyl-1-pyrrolidin-1-ylhexacosan-1-one has a molecular weight of 463.84 g/mol, XLogP of 10.24, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 24-methyl-1-pyrrolidin-1-ylhexacosan-1-one is sourced from PubChem (CID 86022780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).