3-ethyl-N-propan-2-ylpyrrole-1-carboxamide

C10H16N2O — CID 173197301

IUPAC3-ethyl-N-propan-2-ylpyrrole-1-carboxamide
SMILESCCc1ccn(C(=O)NC(C)C)c1
InChIInChI=1S/C10H16N2O/c1-4-9-5-6-12(7-9)10(13)11-8(2)3/h5-8H,4H2,1-3H3,(H,11,13)
InChIKeyYWYHHMWDLJTOIW-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.02
Rot. Bonds2

About 3-ethyl-N-propan-2-ylpyrrole-1-carboxamide

3-ethyl-N-propan-2-ylpyrrole-1-carboxamide (PubChem CID 173197301) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-ethyl-N-propan-2-ylpyrrole-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-propan-2-ylpyrrole-1-carboxamide
PubChem CID173197301
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-ethyl-N-propan-2-ylpyrrole-1-carboxamide
SMILESCCc1ccn(C(=O)NC(C)C)c1
InChIInChI=1S/C10H16N2O/c1-4-9-5-6-12(7-9)10(13)11-8(2)3/h5-8H,4H2,1-3H3,(H,11,13)
InChIKeyYWYHHMWDLJTOIW-UHFFFAOYSA-N
XLogP2.02
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-N-propan-2-ylpyrrole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propan-2-ylpyrrole-1-carboxamide?
The IUPAC name of 3-ethyl-N-propan-2-ylpyrrole-1-carboxamide (CID 173197301) is 3-ethyl-N-propan-2-ylpyrrole-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-propan-2-ylpyrrole-1-carboxamide?
The canonical SMILES for 3-ethyl-N-propan-2-ylpyrrole-1-carboxamide is CCc1ccn(C(=O)NC(C)C)c1.
What is the InChIKey of 3-ethyl-N-propan-2-ylpyrrole-1-carboxamide?
The InChIKey is YWYHHMWDLJTOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-9-5-6-12(7-9)10(13)11-8(2)3/h5-8H,4H2,1-3H3,(H,11,13).
What are the key properties of 3-ethyl-N-propan-2-ylpyrrole-1-carboxamide?
3-ethyl-N-propan-2-ylpyrrole-1-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propan-2-ylpyrrole-1-carboxamide is sourced from PubChem (CID 173197301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).