3-cyano-1H-pyrrole-2-carboxamide

C6H5N3O — CID 83668987

IUPAC3-cyano-1H-pyrrole-2-carboxamide
SMILESN#Cc1cc[nH]c1C(N)=O
InChIInChI=1S/C6H5N3O/c7-3-4-1-2-9-5(4)6(8)10/h1-2,9H,(H2,8,10)
InChIKeyUUXJKYUSPGLEMC-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.01
Rot. Bonds1

About 3-cyano-1H-pyrrole-2-carboxamide

3-cyano-1H-pyrrole-2-carboxamide (PubChem CID 83668987) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 3-cyano-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-cyano-1H-pyrrole-2-carboxamide
PubChem CID83668987
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name3-cyano-1H-pyrrole-2-carboxamide
SMILESN#Cc1cc[nH]c1C(N)=O
InChIInChI=1S/C6H5N3O/c7-3-4-1-2-9-5(4)6(8)10/h1-2,9H,(H2,8,10)
InChIKeyUUXJKYUSPGLEMC-UHFFFAOYSA-N
XLogP-0.01
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-amino-1H-indole-7-carbonitrile;4-amino-1H-indole-7-carboxamide
CID 161183208
2-carbamoyl-1H-pyrrole-3-sulfinic acid
CID 174375881
(3R)-3-amino-3-(3-cyano-1H-pyrrol-2-yl)propanoic acid
CID 130650607
(2-cyanophenyl)urea
CID 13155570
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3-cyano-4-fluorobenzamide
CID 68505906
ethyl 3-cyano-4-oxo-1H-pyridine-2-carboxylate
CID 131027939
3-cyanopyridine-4-carboxamide
CID 68581074
5-(4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169401962
3-(3-cyano-4-hydroxyphenyl)benzamide
CID 53219963
2-prop-2-ynyl-1H-pyrrole-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-cyano-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-cyano-1H-pyrrole-2-carboxamide (CID 83668987) is 3-cyano-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-cyano-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-cyano-1H-pyrrole-2-carboxamide is N#Cc1cc[nH]c1C(N)=O.
What is the InChIKey of 3-cyano-1H-pyrrole-2-carboxamide?
The InChIKey is UUXJKYUSPGLEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c7-3-4-1-2-9-5(4)6(8)10/h1-2,9H,(H2,8,10).
What are the key properties of 3-cyano-1H-pyrrole-2-carboxamide?
3-cyano-1H-pyrrole-2-carboxamide has a molecular weight of 135.13 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 83668987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).