2-anilino-2-(furan-3-yl)acetonitrile

C12H10N2O — CID 24878773

IUPAC2-anilino-2-(furan-3-yl)acetonitrile
SMILESN#CC(Nc1ccccc1)c1ccoc1
InChIInChI=1S/C12H10N2O/c13-8-12(10-6-7-15-9-10)14-11-4-2-1-3-5-11/h1-7,9,12,14H
InChIKeySGPSPSXJZYPPAA-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.96
Rot. Bonds3

About 2-anilino-2-(furan-3-yl)acetonitrile

2-anilino-2-(furan-3-yl)acetonitrile (PubChem CID 24878773) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-anilino-2-(furan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-anilino-2-(furan-3-yl)acetonitrile
PubChem CID24878773
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name2-anilino-2-(furan-3-yl)acetonitrile
SMILESN#CC(Nc1ccccc1)c1ccoc1
InChIInChI=1S/C12H10N2O/c13-8-12(10-6-7-15-9-10)14-11-4-2-1-3-5-11/h1-7,9,12,14H
InChIKeySGPSPSXJZYPPAA-UHFFFAOYSA-N
XLogP2.96
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(furan-3-yl)acetonitrile?
The IUPAC name of 2-anilino-2-(furan-3-yl)acetonitrile (CID 24878773) is 2-anilino-2-(furan-3-yl)acetonitrile.
What is the SMILES notation for 2-anilino-2-(furan-3-yl)acetonitrile?
The canonical SMILES for 2-anilino-2-(furan-3-yl)acetonitrile is N#CC(Nc1ccccc1)c1ccoc1.
What is the InChIKey of 2-anilino-2-(furan-3-yl)acetonitrile?
The InChIKey is SGPSPSXJZYPPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c13-8-12(10-6-7-15-9-10)14-11-4-2-1-3-5-11/h1-7,9,12,14H.
What are the key properties of 2-anilino-2-(furan-3-yl)acetonitrile?
2-anilino-2-(furan-3-yl)acetonitrile has a molecular weight of 198.22 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(furan-3-yl)acetonitrile is sourced from PubChem (CID 24878773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).