5-methyl-2H-pyrrole-4-carboxamide

C6H8N2O — CID 58369287

IUPAC5-methyl-2H-pyrrole-4-carboxamide
SMILESCC1=NCC=C1C(N)=O
InChIInChI=1S/C6H8N2O/c1-4-5(6(7)9)2-3-8-4/h2H,3H2,1H3,(H2,7,9)
InChIKeyMKUZJLMSMXZNAD-UHFFFAOYSA-N
MW124.14 g/mol
LogP-0.13
Rot. Bonds1

About 5-methyl-2H-pyrrole-4-carboxamide

5-methyl-2H-pyrrole-4-carboxamide (PubChem CID 58369287) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 5-methyl-2H-pyrrole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2H-pyrrole-4-carboxamide
PubChem CID58369287
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name5-methyl-2H-pyrrole-4-carboxamide
SMILESCC1=NCC=C1C(N)=O
InChIInChI=1S/C6H8N2O/c1-4-5(6(7)9)2-3-8-4/h2H,3H2,1H3,(H2,7,9)
InChIKeyMKUZJLMSMXZNAD-UHFFFAOYSA-N
XLogP-0.13
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydropyrrolo[3,4-b]pyridin-5-one
CID 20505168
(2E)-2-ethylidene-3-iminopent-4-enamide
CID 123362408
(E)-2-ethanimidoylpent-2-enamide
CID 123461047
2-Ethanimidoyl-4-imino-3-methylbut-2-enamide
CID 123523163
(Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide
CID 129202470
(E)-2-ethyl-4-methyliminobut-2-enamide
CID 142051160
2-methyl-2H-pyrrole-3-carboxamide
CID 151360967
5,5-Dimethylpyrrole-3-carboxamide
CID 174661054
5-Methyl-2,3-dihydropyridine-6-carboxamide
CID 174951687

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-pyrrole-4-carboxamide?
The IUPAC name of 5-methyl-2H-pyrrole-4-carboxamide (CID 58369287) is 5-methyl-2H-pyrrole-4-carboxamide.
What is the SMILES notation for 5-methyl-2H-pyrrole-4-carboxamide?
The canonical SMILES for 5-methyl-2H-pyrrole-4-carboxamide is CC1=NCC=C1C(N)=O.
What is the InChIKey of 5-methyl-2H-pyrrole-4-carboxamide?
The InChIKey is MKUZJLMSMXZNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-5(6(7)9)2-3-8-4/h2H,3H2,1H3,(H2,7,9).
What are the key properties of 5-methyl-2H-pyrrole-4-carboxamide?
5-methyl-2H-pyrrole-4-carboxamide has a molecular weight of 124.14 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-pyrrole-4-carboxamide is sourced from PubChem (CID 58369287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).