N-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide

C9H10N2O — CID 11008237

IUPACN-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide
SMILESC#CCN(C)C(=O)c1ccc[nH]1
InChIInChI=1S/C9H10N2O/c1-3-7-11(2)9(12)8-5-4-6-10-8/h1,4-6,10H,7H2,2H3
InChIKeyIKQLCRCMGYGVMD-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.72
Rot. Bonds2

About N-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide

N-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide (PubChem CID 11008237) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide
PubChem CID11008237
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide
SMILESC#CCN(C)C(=O)c1ccc[nH]1
InChIInChI=1S/C9H10N2O/c1-3-7-11(2)9(12)8-5-4-6-10-8/h1,4-6,10H,7H2,2H3
InChIKeyIKQLCRCMGYGVMD-UHFFFAOYSA-N
XLogP0.72
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide (CID 11008237) is N-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide is C#CCN(C)C(=O)c1ccc[nH]1.
What is the InChIKey of N-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide?
The InChIKey is IKQLCRCMGYGVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-7-11(2)9(12)8-5-4-6-10-8/h1,4-6,10H,7H2,2H3.
What are the key properties of N-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide?
N-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide has a molecular weight of 162.19 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 11008237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).