2-benzyliminoacetonitrile

C9H8N2 — CID 10975606

IUPAC2-benzyliminoacetonitrile
SMILESN#C/C=N/Cc1ccccc1
InChIInChI=1S/C9H8N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,7H,8H2/b11-7+
InChIKeyFAJZPDZUCJOHGD-YRNVUSSQSA-N
MW144.18 g/mol
LogP1.78
Rot. Bonds2

About 2-benzyliminoacetonitrile

2-benzyliminoacetonitrile (PubChem CID 10975606) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-benzyliminoacetonitrile.

Molecular Properties

Compound Name2-benzyliminoacetonitrile
PubChem CID10975606
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2-benzyliminoacetonitrile
SMILESN#C/C=N/Cc1ccccc1
InChIInChI=1S/C9H8N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,7H,8H2/b11-7+
InChIKeyFAJZPDZUCJOHGD-YRNVUSSQSA-N
XLogP1.78
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

benzyliminotungsten
CID 21354480
N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide
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N'-benzyl-N,N-dimethylmethanimidamide
CID 523875
(Z)-N-benzylbut-2-en-1-imine
CID 141334721
(2S)-N-benzyl-2-chloropropan-1-imine
CID 131243971
N-benzyl-3-methylbutan-1-imine
CID 11457986
CID 138984319
CID 138984319
4-[5-(benzyliminomethyl)furan-2-yl]benzonitrile
CID 126029032
N-benzylpent-2-en-1-imine
CID 71349655
(E)-N-benzyl-4-phenylbut-3-en-1-imine
CID 101087207
CID 134873659
CID 134873659
N'-benzyl-N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)methanimidamide
CID 139224983

Frequently Asked Questions

What is the IUPAC name of 2-benzyliminoacetonitrile?
The IUPAC name of 2-benzyliminoacetonitrile (CID 10975606) is 2-benzyliminoacetonitrile.
What is the SMILES notation for 2-benzyliminoacetonitrile?
The canonical SMILES for 2-benzyliminoacetonitrile is N#C/C=N/Cc1ccccc1.
What is the InChIKey of 2-benzyliminoacetonitrile?
The InChIKey is FAJZPDZUCJOHGD-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H8N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,7H,8H2/b11-7+.
What are the key properties of 2-benzyliminoacetonitrile?
2-benzyliminoacetonitrile has a molecular weight of 144.18 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyliminoacetonitrile is sourced from PubChem (CID 10975606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).