1-(4-methylpyrrolidin-3-yl)decan-1-one

C15H29NO — CID 116572424

IUPAC1-(4-methylpyrrolidin-3-yl)decan-1-one
SMILESCCCCCCCCCC(=O)C1CNCC1C
InChIInChI=1S/C15H29NO/c1-3-4-5-6-7-8-9-10-15(17)14-12-16-11-13(14)2/h13-14,16H,3-12H2,1-2H3
InChIKeyWJKFVEPNJNPQFL-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.55
Rot. Bonds9

About 1-(4-methylpyrrolidin-3-yl)decan-1-one

1-(4-methylpyrrolidin-3-yl)decan-1-one (PubChem CID 116572424) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(4-methylpyrrolidin-3-yl)decan-1-one.

Molecular Properties

Compound Name1-(4-methylpyrrolidin-3-yl)decan-1-one
PubChem CID116572424
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(4-methylpyrrolidin-3-yl)decan-1-one
SMILESCCCCCCCCCC(=O)C1CNCC1C
InChIInChI=1S/C15H29NO/c1-3-4-5-6-7-8-9-10-15(17)14-12-16-11-13(14)2/h13-14,16H,3-12H2,1-2H3
InChIKeyWJKFVEPNJNPQFL-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,2R)-2-methylcyclopropyl]dodecan-1-one
CID 134964567
1-(4-methylpyrrolidin-3-yl)-3-propylsulfonylpropan-1-one
CID 106736437
1-(2-methylcyclopropyl)hexan-1-one
CID 65420379
1-(2-methylcyclopentyl)decan-1-one
CID 107186745
1-(2-methylcyclopentyl)heptan-1-one
CID 107186756
1-(2-methylcyclopentyl)hexan-1-one
CID 107186773
4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide
CID 63714459
octan-2-yl 4-methylpyrrolidine-3-carboxylate
CID 63719523
2-ethoxy-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572449
N-(3-methylpiperidin-4-yl)decanamide
CID 79886452
1-piperidin-3-ylnonan-1-one
CID 116547942
(1R)-2-hexanoylcyclobutane-1-carbonyl fluoride
CID 155467999

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrrolidin-3-yl)decan-1-one?
The IUPAC name of 1-(4-methylpyrrolidin-3-yl)decan-1-one (CID 116572424) is 1-(4-methylpyrrolidin-3-yl)decan-1-one.
What is the SMILES notation for 1-(4-methylpyrrolidin-3-yl)decan-1-one?
The canonical SMILES for 1-(4-methylpyrrolidin-3-yl)decan-1-one is CCCCCCCCCC(=O)C1CNCC1C.
What is the InChIKey of 1-(4-methylpyrrolidin-3-yl)decan-1-one?
The InChIKey is WJKFVEPNJNPQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-4-5-6-7-8-9-10-15(17)14-12-16-11-13(14)2/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 1-(4-methylpyrrolidin-3-yl)decan-1-one?
1-(4-methylpyrrolidin-3-yl)decan-1-one has a molecular weight of 239.40 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrrolidin-3-yl)decan-1-one is sourced from PubChem (CID 116572424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).