2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile

C9H10N2O — CID 673083

IUPAC2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile
SMILESN#Cc1c(N)oc2c1CCCC2
InChIInChI=1S/C9H10N2O/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2
InChIKeyYOZTUVGTXWSPCM-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.61
Rot. Bonds

About 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile

2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile (PubChem CID 673083) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile
PubChem CID673083
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile
SMILESN#Cc1c(N)oc2c1CCCC2
InChIInChI=1S/C9H10N2O/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2
InChIKeyYOZTUVGTXWSPCM-UHFFFAOYSA-N
XLogP1.61
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile?
The IUPAC name of 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile (CID 673083) is 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile.
What is the SMILES notation for 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile?
The canonical SMILES for 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile is N#Cc1c(N)oc2c1CCCC2.
What is the InChIKey of 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile?
The InChIKey is YOZTUVGTXWSPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2.
What are the key properties of 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile?
2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carbonitrile is sourced from PubChem (CID 673083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).