1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide

C21H40N2O — CID 122534315

IUPAC1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide
SMILESC=C1CC(C(=O)NCCCCC)CN1CCCCCCCCCC
InChIInChI=1S/C21H40N2O/c1-4-6-8-9-10-11-12-14-16-23-18-20(17-19(23)3)21(24)22-15-13-7-5-2/h20H,3-18H2,1-2H3,(H,22,24)
InChIKeyARZOLYZEJHRKIO-UHFFFAOYSA-N
MW336.56 g/mol
LogP5.27
Rot. Bonds14

About 1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide

1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide (PubChem CID 122534315) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is 1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide
PubChem CID122534315
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC Name1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide
SMILESC=C1CC(C(=O)NCCCCC)CN1CCCCCCCCCC
InChIInChI=1S/C21H40N2O/c1-4-6-8-9-10-11-12-14-16-23-18-20(17-19(23)3)21(24)22-15-13-7-5-2/h20H,3-18H2,1-2H3,(H,22,24)
InChIKeyARZOLYZEJHRKIO-UHFFFAOYSA-N
XLogP5.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 55.27
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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Frequently Asked Questions

What is the IUPAC name of 1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide?
The IUPAC name of 1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide (CID 122534315) is 1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide is C=C1CC(C(=O)NCCCCC)CN1CCCCCCCCCC.
What is the InChIKey of 1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide?
The InChIKey is ARZOLYZEJHRKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O/c1-4-6-8-9-10-11-12-14-16-23-18-20(17-19(23)3)21(24)22-15-13-7-5-2/h20H,3-18H2,1-2H3,(H,22,24).
What are the key properties of 1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide?
1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide has a molecular weight of 336.56 g/mol, XLogP of 5.27, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 122534315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).