N-methyl-N-propyl-1H-pyrrole-3-carboxamide

C9H14N2O — CID 20642911

IUPACN-methyl-N-propyl-1H-pyrrole-3-carboxamide
SMILESCCCN(C)C(=O)c1cc[nH]c1
InChIInChI=1S/C9H14N2O/c1-3-6-11(2)9(12)8-4-5-10-7-8/h4-5,7,10H,3,6H2,1-2H3
InChIKeyYEGKPZROEYAZSS-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.50
Rot. Bonds3

About N-methyl-N-propyl-1H-pyrrole-3-carboxamide

N-methyl-N-propyl-1H-pyrrole-3-carboxamide (PubChem CID 20642911) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-methyl-N-propyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propyl-1H-pyrrole-3-carboxamide
PubChem CID20642911
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-methyl-N-propyl-1H-pyrrole-3-carboxamide
SMILESCCCN(C)C(=O)c1cc[nH]c1
InChIInChI=1S/C9H14N2O/c1-3-6-11(2)9(12)8-4-5-10-7-8/h4-5,7,10H,3,6H2,1-2H3
InChIKeyYEGKPZROEYAZSS-UHFFFAOYSA-N
XLogP1.50
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-methyl-N-propyl-1H-pyrrole-3-carboxamide (CID 20642911) is N-methyl-N-propyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-methyl-N-propyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-methyl-N-propyl-1H-pyrrole-3-carboxamide is CCCN(C)C(=O)c1cc[nH]c1.
What is the InChIKey of N-methyl-N-propyl-1H-pyrrole-3-carboxamide?
The InChIKey is YEGKPZROEYAZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-6-11(2)9(12)8-4-5-10-7-8/h4-5,7,10H,3,6H2,1-2H3.
What are the key properties of N-methyl-N-propyl-1H-pyrrole-3-carboxamide?
N-methyl-N-propyl-1H-pyrrole-3-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 20642911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).