1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile

C18H16N2 — CID 174982415

IUPAC1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile
SMILESCC(/N=C1\CCc2c(C#N)cccc21)c1ccccc1
InChIInChI=1S/C18H16N2/c1-13(14-6-3-2-4-7-14)20-18-11-10-16-15(12-19)8-5-9-17(16)18/h2-9,13H,10-11H2,1H3/b20-18+
InChIKeyPNVNCYFZAWLSPV-CZIZESTLSA-N
MW260.34 g/mol
LogP4.05
Rot. Bonds2

About 1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile

1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile (PubChem CID 174982415) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile.

Molecular Properties

Compound Name1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile
PubChem CID174982415
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile
SMILESCC(/N=C1\CCc2c(C#N)cccc21)c1ccccc1
InChIInChI=1S/C18H16N2/c1-13(14-6-3-2-4-7-14)20-18-11-10-16-15(12-19)8-5-9-17(16)18/h2-9,13H,10-11H2,1H3/b20-18+
InChIKeyPNVNCYFZAWLSPV-CZIZESTLSA-N
XLogP4.05
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile?
The IUPAC name of 1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile (CID 174982415) is 1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile.
What is the SMILES notation for 1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile?
The canonical SMILES for 1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile is CC(/N=C1\CCc2c(C#N)cccc21)c1ccccc1.
What is the InChIKey of 1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile?
The InChIKey is PNVNCYFZAWLSPV-CZIZESTLSA-N. The full InChI is InChI=1S/C18H16N2/c1-13(14-6-3-2-4-7-14)20-18-11-10-16-15(12-19)8-5-9-17(16)18/h2-9,13H,10-11H2,1H3/b20-18+.
What are the key properties of 1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile?
1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile is sourced from PubChem (CID 174982415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).