2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide

C8H11N3O — CID 163654482

IUPAC2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide
SMILESC=Cc1cn(C)c(N)c1C(N)=O
InChIInChI=1S/C8H11N3O/c1-3-5-4-11(2)7(9)6(5)8(10)12/h3-4H,1,9H2,2H3,(H2,10,12)
InChIKeyIOZBWSHHDHIHRD-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.35
Rot. Bonds2

About 2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide

2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide (PubChem CID 163654482) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide
PubChem CID163654482
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide
SMILESC=Cc1cn(C)c(N)c1C(N)=O
InChIInChI=1S/C8H11N3O/c1-3-5-4-11(2)7(9)6(5)8(10)12/h3-4H,1,9H2,2H3,(H2,10,12)
InChIKeyIOZBWSHHDHIHRD-UHFFFAOYSA-N
XLogP0.35
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 135520243
CID 135520243
CID 135433723
CID 135433723
CID 135403632
CID 135403632
CID 135433729
CID 135433729
CID 136094211
CID 136094211
CID 136599022
CID 136599022
CID 135730684
CID 135730684
CID 88282444
CID 88282444
CID 134573998
CID 134573998
CID 134574022
CID 134574022
CID 135741818
CID 135741818
CID 135905394
CID 135905394

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide?
The IUPAC name of 2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide (CID 163654482) is 2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for 2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide?
The canonical SMILES for 2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide is C=Cc1cn(C)c(N)c1C(N)=O.
What is the InChIKey of 2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide?
The InChIKey is IOZBWSHHDHIHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-3-5-4-11(2)7(9)6(5)8(10)12/h3-4H,1,9H2,2H3,(H2,10,12).
What are the key properties of 2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide?
2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide has a molecular weight of 165.20 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethenyl-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 163654482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).