1-decyl-2-methylpyrrolidin-3-one

C15H29NO — CID 175583922

IUPAC1-decyl-2-methylpyrrolidin-3-one
SMILESCCCCCCCCCCN1CCC(=O)C1C
InChIInChI=1S/C15H29NO/c1-3-4-5-6-7-8-9-10-12-16-13-11-15(17)14(16)2/h14H,3-13H2,1-2H3
InChIKeyQEQHGMJFWVPJPN-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.79
Rot. Bonds9

About 1-decyl-2-methylpyrrolidin-3-one

1-decyl-2-methylpyrrolidin-3-one (PubChem CID 175583922) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-decyl-2-methylpyrrolidin-3-one.

Molecular Properties

Compound Name1-decyl-2-methylpyrrolidin-3-one
PubChem CID175583922
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-decyl-2-methylpyrrolidin-3-one
SMILESCCCCCCCCCCN1CCC(=O)C1C
InChIInChI=1S/C15H29NO/c1-3-4-5-6-7-8-9-10-12-16-13-11-15(17)14(16)2/h14H,3-13H2,1-2H3
InChIKeyQEQHGMJFWVPJPN-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hexylpiperidin-2-yl)cyclopentan-1-one
CID 79545160
2-(1-octylpiperidin-2-yl)cyclohexan-1-one
CID 79539887
1-heptyl-2-methylaziridine
CID 142378837
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-heptyl-2-methylpyrrolidine-3-carboxylic acid
CID 79371042
1-pentadecylpiperidin-4-one
CID 10267366
1,3-dioctylimidazolidin-2-one
CID 19987667
1-decyl-1,3-diazinane-2,4-dione
CID 77019056
2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one
CID 115325870
(1-dodecyl-3-methylpyrrolidin-2-yl)methanamine
CID 102784984
(1-decyl-3-methylpyrrolidin-2-yl)methanamine
CID 102784470

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-methylpyrrolidin-3-one?
The IUPAC name of 1-decyl-2-methylpyrrolidin-3-one (CID 175583922) is 1-decyl-2-methylpyrrolidin-3-one.
What is the SMILES notation for 1-decyl-2-methylpyrrolidin-3-one?
The canonical SMILES for 1-decyl-2-methylpyrrolidin-3-one is CCCCCCCCCCN1CCC(=O)C1C.
What is the InChIKey of 1-decyl-2-methylpyrrolidin-3-one?
The InChIKey is QEQHGMJFWVPJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-4-5-6-7-8-9-10-12-16-13-11-15(17)14(16)2/h14H,3-13H2,1-2H3.
What are the key properties of 1-decyl-2-methylpyrrolidin-3-one?
1-decyl-2-methylpyrrolidin-3-one has a molecular weight of 239.40 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-methylpyrrolidin-3-one is sourced from PubChem (CID 175583922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).