N-butyl-1-methylpyrrole-3-carboxamide

C10H16N2O — CID 110762618

IUPACN-butyl-1-methylpyrrole-3-carboxamide
SMILESCCCCNC(=O)c1ccn(C)c1
InChIInChI=1S/C10H16N2O/c1-3-4-6-11-10(13)9-5-7-12(2)8-9/h5,7-8H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyKMGVYUCXFWZOOX-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.55
Rot. Bonds4

About N-butyl-1-methylpyrrole-3-carboxamide

N-butyl-1-methylpyrrole-3-carboxamide (PubChem CID 110762618) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-butyl-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-methylpyrrole-3-carboxamide
PubChem CID110762618
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-butyl-1-methylpyrrole-3-carboxamide
SMILESCCCCNC(=O)c1ccn(C)c1
InChIInChI=1S/C10H16N2O/c1-3-4-6-11-10(13)9-5-7-12(2)8-9/h5,7-8H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyKMGVYUCXFWZOOX-UHFFFAOYSA-N
XLogP1.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.55
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

N-butyl-2-(1-methylpyrrol-3-yl)acetamide
CID 110768899
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide
CID 154668563
N-butylpyridine-4-carboxamide
CID 5030535
N-butyl-3,5-dimethylbenzamide
CID 17190927
N-butyl-3,5-dihydroxybenzamide
CID 91715801
N-butyl-4-phenylbenzamide
CID 3637649
N-butyl-4-formylbenzamide
CID 118474745
N-butyl-4-isocyanobenzamide
CID 164787175
N-pentylfuran-3-carboxamide
CID 91139562
N-dodecyl-1H-pyrrole-3-carboxamide
CID 175440908
N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485487

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-butyl-1-methylpyrrole-3-carboxamide (CID 110762618) is N-butyl-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-butyl-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-butyl-1-methylpyrrole-3-carboxamide is CCCCNC(=O)c1ccn(C)c1.
What is the InChIKey of N-butyl-1-methylpyrrole-3-carboxamide?
The InChIKey is KMGVYUCXFWZOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-6-11-10(13)9-5-7-12(2)8-9/h5,7-8H,3-4,6H2,1-2H3,(H,11,13).
What are the key properties of N-butyl-1-methylpyrrole-3-carboxamide?
N-butyl-1-methylpyrrole-3-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 110762618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).