9-methyl-1-pyrrolidin-1-yltetradecan-1-one

C19H37NO — CID 91705079

IUPAC9-methyl-1-pyrrolidin-1-yltetradecan-1-one
SMILESCCCCCC(C)CCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C19H37NO/c1-3-4-8-13-18(2)14-9-6-5-7-10-15-19(21)20-16-11-12-17-20/h18H,3-17H2,1-2H3
InChIKeyAGNNNAUPCKTJPY-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.56
Rot. Bonds12

About 9-methyl-1-pyrrolidin-1-yltetradecan-1-one

9-methyl-1-pyrrolidin-1-yltetradecan-1-one (PubChem CID 91705079) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 9-methyl-1-pyrrolidin-1-yltetradecan-1-one.

Molecular Properties

Compound Name9-methyl-1-pyrrolidin-1-yltetradecan-1-one
PubChem CID91705079
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name9-methyl-1-pyrrolidin-1-yltetradecan-1-one
SMILESCCCCCC(C)CCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C19H37NO/c1-3-4-8-13-18(2)14-9-6-5-7-10-15-19(21)20-16-11-12-17-20/h18H,3-17H2,1-2H3
InChIKeyAGNNNAUPCKTJPY-UHFFFAOYSA-N
XLogP5.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.56
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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15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
6-(azepan-1-yl)-6-oxohexanamide;dodecane
CID 174982677
1-pyrrolidin-1-yloctadec-11-yn-1-one
CID 574709
(7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one
CID 91705104
1-pyrrolidin-1-yloctadec-6-en-1-one
CID 574885
(8Z,12Z)-1-pyrrolidin-1-yloctadeca-8,12-dien-1-one
CID 91705036
17-methylpentacosan-2-one
CID 57068605
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-pyrrolidin-1-yltetradecan-1-one?
The IUPAC name of 9-methyl-1-pyrrolidin-1-yltetradecan-1-one (CID 91705079) is 9-methyl-1-pyrrolidin-1-yltetradecan-1-one.
What is the SMILES notation for 9-methyl-1-pyrrolidin-1-yltetradecan-1-one?
The canonical SMILES for 9-methyl-1-pyrrolidin-1-yltetradecan-1-one is CCCCCC(C)CCCCCCCC(=O)N1CCCC1.
What is the InChIKey of 9-methyl-1-pyrrolidin-1-yltetradecan-1-one?
The InChIKey is AGNNNAUPCKTJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-4-8-13-18(2)14-9-6-5-7-10-15-19(21)20-16-11-12-17-20/h18H,3-17H2,1-2H3.
What are the key properties of 9-methyl-1-pyrrolidin-1-yltetradecan-1-one?
9-methyl-1-pyrrolidin-1-yltetradecan-1-one has a molecular weight of 295.51 g/mol, XLogP of 5.56, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-pyrrolidin-1-yltetradecan-1-one is sourced from PubChem (CID 91705079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).