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

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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).