2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile

C9H7N3O — CID 82468114

IUPAC2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile
SMILESN#Cc1c(-c2cc[nH]c2)coc1N
InChIInChI=1S/C9H7N3O/c10-3-7-8(5-13-9(7)11)6-1-2-12-4-6/h1-2,4-5,12H,11H2
InChIKeyJSNUGTIMQCLLKH-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.73
Rot. Bonds1

About 2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile

2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile (PubChem CID 82468114) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile
PubChem CID82468114
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile
SMILESN#Cc1c(-c2cc[nH]c2)coc1N
InChIInChI=1S/C9H7N3O/c10-3-7-8(5-13-9(7)11)6-1-2-12-4-6/h1-2,4-5,12H,11H2
InChIKeyJSNUGTIMQCLLKH-UHFFFAOYSA-N
XLogP1.73
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 69222371
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2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile
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2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile
CID 82477297
2-amino-4-(4-cyclohexylphenyl)furan-3-carbonitrile
CID 82487040
2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile
CID 96664729
2-amino-4-thiophen-2-ylfuran-3-carbonitrile
CID 82044048
2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile
CID 82476649
2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile
CID 82484359
2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile
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2-amino-4-ethylfuran-3-carbonitrile
CID 3536585

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile?
The IUPAC name of 2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile (CID 82468114) is 2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile is N#Cc1c(-c2cc[nH]c2)coc1N.
What is the InChIKey of 2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile?
The InChIKey is JSNUGTIMQCLLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c10-3-7-8(5-13-9(7)11)6-1-2-12-4-6/h1-2,4-5,12H,11H2.
What are the key properties of 2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile?
2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile has a molecular weight of 173.17 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile is sourced from PubChem (CID 82468114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).