2,3,4-trimethylpyrrole-1-carboxamide

C8H12N2O — CID 67112270

IUPAC2,3,4-trimethylpyrrole-1-carboxamide
SMILESCc1cn(C(N)=O)c(C)c1C
InChIInChI=1S/C8H12N2O/c1-5-4-10(8(9)11)7(3)6(5)2/h4H,1-3H3,(H2,9,11)
InChIKeyRTSDBRMRGKSHGD-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.34
Rot. Bonds

About 2,3,4-trimethylpyrrole-1-carboxamide

2,3,4-trimethylpyrrole-1-carboxamide (PubChem CID 67112270) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2,3,4-trimethylpyrrole-1-carboxamide.

Molecular Properties

Compound Name2,3,4-trimethylpyrrole-1-carboxamide
PubChem CID67112270
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2,3,4-trimethylpyrrole-1-carboxamide
SMILESCc1cn(C(N)=O)c(C)c1C
InChIInChI=1S/C8H12N2O/c1-5-4-10(8(9)11)7(3)6(5)2/h4H,1-3H3,(H2,9,11)
InChIKeyRTSDBRMRGKSHGD-UHFFFAOYSA-N
XLogP1.34
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,4-trimethylpyrrole-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

Related Compounds

9-methyl-5,6-dihydro-1H-pyrrolo[3,2-h]quinazolin-2-one
CID 145988977
1-Butyl-3-ethyl-2,4-dimethylpyrrole
CID 10487594
1-Tert-butyl-4-ethyl-2-methyl-3-propylpyrrole
CID 10846010
3-Ethyl-1,2,4-trimethylpyrrole
CID 15707387
Cyclopenta[b]pyrrole, 1-acetyl-1,4,5,6-tetrahydro-3-methyl-(9CI)
CID 24976364
2-Phenylpyrrole-1-carboxamide
CID 89898086
3-(3-Fluorophenyl)-2-octan-3-ylpyrrole-1-carboxamide
CID 69693529
3-(2-Fluorophenyl)-2-heptan-3-ylpyrrole-1-carboxamide
CID 69693668
3-(4-Fluorophenyl)-2-heptan-3-ylpyrrole-1-carboxamide
CID 69693941
3-(1-Fluoroethyl)-1,2-dimethyl-4-propan-2-ylpyrrole
CID 124004700
2,3-Dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide
CID 138523635
1,3,4-Trimethyl-2-(trifluoromethyl)pyrrole
CID 146185973

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylpyrrole-1-carboxamide?
The IUPAC name of 2,3,4-trimethylpyrrole-1-carboxamide (CID 67112270) is 2,3,4-trimethylpyrrole-1-carboxamide.
What is the SMILES notation for 2,3,4-trimethylpyrrole-1-carboxamide?
The canonical SMILES for 2,3,4-trimethylpyrrole-1-carboxamide is Cc1cn(C(N)=O)c(C)c1C.
What is the InChIKey of 2,3,4-trimethylpyrrole-1-carboxamide?
The InChIKey is RTSDBRMRGKSHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-4-10(8(9)11)7(3)6(5)2/h4H,1-3H3,(H2,9,11).
What are the key properties of 2,3,4-trimethylpyrrole-1-carboxamide?
2,3,4-trimethylpyrrole-1-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylpyrrole-1-carboxamide is sourced from PubChem (CID 67112270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).