2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile

C9H8N2O2 — CID 83448065

IUPAC2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile
SMILESN#Cc1c(N)oc2c1C(=O)CCC2
InChIInChI=1S/C9H8N2O2/c10-4-5-8-6(12)2-1-3-7(8)13-9(5)11/h1-3,11H2
InChIKeyKMWCOOUJHILMAK-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.25
Rot. Bonds

About 2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile

2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile (PubChem CID 83448065) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile
PubChem CID83448065
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile
SMILESN#Cc1c(N)oc2c1C(=O)CCC2
InChIInChI=1S/C9H8N2O2/c10-4-5-8-6(12)2-1-3-7(8)13-9(5)11/h1-3,11H2
InChIKeyKMWCOOUJHILMAK-UHFFFAOYSA-N
XLogP1.25
TPSA80.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzofurane-3-carboxamide, 4,5,6,7-tetrahydro-2-methyl-
CID 601519
ST050948
CID 673083
2,6-Diamino-4,8-dioxofuro[2,3-f][1]benzofuran-3,7-dicarbonitrile
CID 12492307
Cyclododeca[b]furan-3-carbonitrile, 2-amino-4,5,6,7,8,9,10,11,12,13-decahydro-
CID 534704
4-Acetyl-2-amino-5-methyl-3-furonitrile
CID 4404986
4-Acetyl-5-amino-2-methyl-3-furancarbonitrile
CID 5243294
1-(2-Amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone
CID 57971095
2-Amino-4,5-dipentylfuran-3-carbonitrile
CID 69233181
1-(2-Amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane
CID 91494783
4-Acetyl-2-amino-5-phenylfuran-3-carbonitrile
CID 139846099
2-Amino-4-benzoyl-5-phenylfuran-3-carbonitrile
CID 139846100
1-(2-Amino-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanone;ethane;methane
CID 159022353

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile?
The IUPAC name of 2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile (CID 83448065) is 2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile.
What is the SMILES notation for 2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile?
The canonical SMILES for 2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile is N#Cc1c(N)oc2c1C(=O)CCC2.
What is the InChIKey of 2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile?
The InChIKey is KMWCOOUJHILMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-4-5-8-6(12)2-1-3-7(8)13-9(5)11/h1-3,11H2.
What are the key properties of 2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile?
2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile has a molecular weight of 176.17 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonitrile is sourced from PubChem (CID 83448065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).