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

C18H34N2O — CID 122534287

IUPAC1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide
SMILESC=C1CC(C(=O)NCCCCC)CN1CCCCCCC
InChIInChI=1S/C18H34N2O/c1-4-6-8-9-11-13-20-15-17(14-16(20)3)18(21)19-12-10-7-5-2/h17H,3-15H2,1-2H3,(H,19,21)
InChIKeyBSVNLIRGWPJIRY-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.10
Rot. Bonds11

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

1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide (PubChem CID 122534287) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide
PubChem CID122534287
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide
SMILESC=C1CC(C(=O)NCCCCC)CN1CCCCCCC
InChIInChI=1S/C18H34N2O/c1-4-6-8-9-11-13-20-15-17(14-16(20)3)18(21)19-12-10-7-5-2/h17H,3-15H2,1-2H3,(H,19,21)
InChIKeyBSVNLIRGWPJIRY-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.10
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

N-methyl-2-(1-methyl-2-methylidenepyrrolidin-3-yl)acetamide
CID 59931993
3-[1-(Dimethylamino)ethenyl]pyrrolidin-2-one
CID 70443363
1-hexadecyl-N-hexyl-5-methylidenepyrrolidine-3-carboxamide
CID 90273569
1-hexyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide
CID 122534217
N-butyl-1-dodecyl-5-methylidenepyrrolidine-3-carboxamide
CID 122534308
4-[1-(Butylamino)ethenyl]-1-hexylpyrrolidin-2-one
CID 122534314
1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide
CID 122534315
1-[2,4-Dimethyl-4-(methylamino)pentan-2-yl]-3-methyl-5-methylidenepyrrolidin-2-one
CID 134228050
3-(1-Aminoethenyl)-5-propylpyrrolidin-2-one
CID 139523886
2,2-dimethylpentane;1-methyl-5-methylidenepyrrolidin-2-one;N,2,2-trimethylpropan-1-amine
CID 142048030
2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine
CID 142070801
2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide
CID 142070812

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide?
The IUPAC name of 1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide (CID 122534287) is 1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide is C=C1CC(C(=O)NCCCCC)CN1CCCCCCC.
What is the InChIKey of 1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide?
The InChIKey is BSVNLIRGWPJIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-6-8-9-11-13-20-15-17(14-16(20)3)18(21)19-12-10-7-5-2/h17H,3-15H2,1-2H3,(H,19,21).
What are the key properties of 1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide?
1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide has a molecular weight of 294.48 g/mol, XLogP of 4.10, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 122534287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).