13-methyl-1-pyrrolidin-1-yltetradecan-1-one

C19H37NO — CID 574644

IUPAC13-methyl-1-pyrrolidin-1-yltetradecan-1-one
SMILESCC(C)CCCCCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C19H37NO/c1-18(2)14-10-8-6-4-3-5-7-9-11-15-19(21)20-16-12-13-17-20/h18H,3-17H2,1-2H3
InChIKeyDSWZMTBYDLLDNM-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.56
Rot. Bonds12

About 13-methyl-1-pyrrolidin-1-yltetradecan-1-one

13-methyl-1-pyrrolidin-1-yltetradecan-1-one (PubChem CID 574644) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 13-methyl-1-pyrrolidin-1-yltetradecan-1-one.

Molecular Properties

Compound Name13-methyl-1-pyrrolidin-1-yltetradecan-1-one
PubChem CID574644
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name13-methyl-1-pyrrolidin-1-yltetradecan-1-one
SMILESCC(C)CCCCCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C19H37NO/c1-18(2)14-10-8-6-4-3-5-7-9-11-15-19(21)20-16-12-13-17-20/h18H,3-17H2,1-2H3
InChIKeyDSWZMTBYDLLDNM-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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Frequently Asked Questions

What is the IUPAC name of 13-methyl-1-pyrrolidin-1-yltetradecan-1-one?
The IUPAC name of 13-methyl-1-pyrrolidin-1-yltetradecan-1-one (CID 574644) is 13-methyl-1-pyrrolidin-1-yltetradecan-1-one.
What is the SMILES notation for 13-methyl-1-pyrrolidin-1-yltetradecan-1-one?
The canonical SMILES for 13-methyl-1-pyrrolidin-1-yltetradecan-1-one is CC(C)CCCCCCCCCCCC(=O)N1CCCC1.
What is the InChIKey of 13-methyl-1-pyrrolidin-1-yltetradecan-1-one?
The InChIKey is DSWZMTBYDLLDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-18(2)14-10-8-6-4-3-5-7-9-11-15-19(21)20-16-12-13-17-20/h18H,3-17H2,1-2H3.
What are the key properties of 13-methyl-1-pyrrolidin-1-yltetradecan-1-one?
13-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 13-methyl-1-pyrrolidin-1-yltetradecan-1-one is sourced from PubChem (CID 574644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).