N-ethyl-1H-pyrrole-2-carboxamide

C7H10N2O — CID 22499134

IUPACN-ethyl-1H-pyrrole-2-carboxamide
SMILESCCNC(=O)c1ccc[nH]1
InChIInChI=1S/C7H10N2O/c1-2-8-7(10)6-4-3-5-9-6/h3-5,9H,2H2,1H3,(H,8,10)
InChIKeyTVVGHVLRIOSKKH-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.76
Rot. Bonds2

About N-ethyl-1H-pyrrole-2-carboxamide

N-ethyl-1H-pyrrole-2-carboxamide (PubChem CID 22499134) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is N-ethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1H-pyrrole-2-carboxamide
PubChem CID22499134
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC NameN-ethyl-1H-pyrrole-2-carboxamide
SMILESCCNC(=O)c1ccc[nH]1
InChIInChI=1S/C7H10N2O/c1-2-8-7(10)6-4-3-5-9-6/h3-5,9H,2H2,1H3,(H,8,10)
InChIKeyTVVGHVLRIOSKKH-UHFFFAOYSA-N
XLogP0.76
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-ethyl-1H-pyrrole-2-carboxamide (CID 22499134) is N-ethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-ethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-ethyl-1H-pyrrole-2-carboxamide is CCNC(=O)c1ccc[nH]1.
What is the InChIKey of N-ethyl-1H-pyrrole-2-carboxamide?
The InChIKey is TVVGHVLRIOSKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-8-7(10)6-4-3-5-9-6/h3-5,9H,2H2,1H3,(H,8,10).
What are the key properties of N-ethyl-1H-pyrrole-2-carboxamide?
N-ethyl-1H-pyrrole-2-carboxamide has a molecular weight of 138.17 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 22499134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).