2-(furan-3-ylmethyl)benzonitrile

C12H9NO — CID 101411929

IUPAC2-(furan-3-ylmethyl)benzonitrile
SMILESN#Cc1ccccc1Cc1ccoc1
InChIInChI=1S/C12H9NO/c13-8-12-4-2-1-3-11(12)7-10-5-6-14-9-10/h1-6,9H,7H2
InChIKeyRQHIIVSYELBUAS-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.74
Rot. Bonds2

About 2-(furan-3-ylmethyl)benzonitrile

2-(furan-3-ylmethyl)benzonitrile (PubChem CID 101411929) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)benzonitrile.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)benzonitrile
PubChem CID101411929
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name2-(furan-3-ylmethyl)benzonitrile
SMILESN#Cc1ccccc1Cc1ccoc1
InChIInChI=1S/C12H9NO/c13-8-12-4-2-1-3-11(12)7-10-5-6-14-9-10/h1-6,9H,7H2
InChIKeyRQHIIVSYELBUAS-UHFFFAOYSA-N
XLogP2.74
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
2-[(2-methyl-4-pyridinyl)methyl]benzonitrile
CID 166100145
2-(iodomethyl)benzonitrile
CID 64788563
2-[(1-methyltetrazol-5-yl)methyl]benzonitrile
CID 166100100
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
2-(aziridin-1-ylmethyl)benzonitrile
CID 102051024
N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide
CID 61422743
2-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzonitrile
CID 166100090
2-[(3,6-dichloro-2-pyridinyl)methyl]benzonitrile
CID 88841187
2-[3-(2-cyanophenyl)-2-oxopropyl]benzonitrile
CID 13459099
2-(2-bromoethyl)benzonitrile
CID 57227888
2-[(4-chlorophenyl)methylsulfonylmethyl]benzonitrile
CID 94804869

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)benzonitrile?
The IUPAC name of 2-(furan-3-ylmethyl)benzonitrile (CID 101411929) is 2-(furan-3-ylmethyl)benzonitrile.
What is the SMILES notation for 2-(furan-3-ylmethyl)benzonitrile?
The canonical SMILES for 2-(furan-3-ylmethyl)benzonitrile is N#Cc1ccccc1Cc1ccoc1.
What is the InChIKey of 2-(furan-3-ylmethyl)benzonitrile?
The InChIKey is RQHIIVSYELBUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c13-8-12-4-2-1-3-11(12)7-10-5-6-14-9-10/h1-6,9H,7H2.
What are the key properties of 2-(furan-3-ylmethyl)benzonitrile?
2-(furan-3-ylmethyl)benzonitrile has a molecular weight of 183.21 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethyl)benzonitrile is sourced from PubChem (CID 101411929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).