2-amino-1H-pyrrole-3-carbonitrile

C5H5N3 — CID 22499132

IUPAC2-amino-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc[nH]c1N
InChIInChI=1S/C5H5N3/c6-3-4-1-2-8-5(4)7/h1-2,8H,7H2
InChIKeyHGUUICKROVJTES-UHFFFAOYSA-N
MW107.12 g/mol
LogP0.47
Rot. Bonds

About 2-amino-1H-pyrrole-3-carbonitrile

2-amino-1H-pyrrole-3-carbonitrile (PubChem CID 22499132) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is 2-amino-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1H-pyrrole-3-carbonitrile
PubChem CID22499132
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name2-amino-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc[nH]c1N
InChIInChI=1S/C5H5N3/c6-3-4-1-2-8-5(4)7/h1-2,8H,7H2
InChIKeyHGUUICKROVJTES-UHFFFAOYSA-N
XLogP0.47
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrrole-3-carbonitrile
CID 564206
5-amino-1-tert-butyl-1H-pyrrole-3-carbonitrile
CID 10313261
2-Aminopyrrole
CID 5324781
1H-Pyrrole-3-carboximidamide
CID 176662
2-Amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidine-4-thione
CID 21135544
1H-pyrrolo[2,3-d]pyrimidin-2(3H)-one
CID 24888096
Pyrrolo[2,3-d]pyrimidine-4-thione
CID 5111292
5-Amino-1-methyl-1H-pyrrole-3-carbonitrile
CID 10103164
2-Amino-3,4-dicyanopyrrole
CID 11819114
2-Dimethylaminopyrrole
CID 15826366
N-Methyl-1H-pyrrol-2-amine
CID 17805735
Azolyl isocyanate
CID 23062270

Frequently Asked Questions

What is the IUPAC name of 2-amino-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-amino-1H-pyrrole-3-carbonitrile (CID 22499132) is 2-amino-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-1H-pyrrole-3-carbonitrile is N#Cc1cc[nH]c1N.
What is the InChIKey of 2-amino-1H-pyrrole-3-carbonitrile?
The InChIKey is HGUUICKROVJTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3/c6-3-4-1-2-8-5(4)7/h1-2,8H,7H2.
What are the key properties of 2-amino-1H-pyrrole-3-carbonitrile?
2-amino-1H-pyrrole-3-carbonitrile has a molecular weight of 107.12 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 22499132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).