1-anilino-2,3-dihydroindene-1-carbonitrile

C16H14N2 — CID 12740114

IUPAC1-anilino-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(Nc2ccccc2)CCc2ccccc21
InChIInChI=1S/C16H14N2/c17-12-16(18-14-7-2-1-3-8-14)11-10-13-6-4-5-9-15(13)16/h1-9,18H,10-11H2
InChIKeyFJHYQELOQFBCKU-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.46
Rot. Bonds2

About 1-anilino-2,3-dihydroindene-1-carbonitrile

1-anilino-2,3-dihydroindene-1-carbonitrile (PubChem CID 12740114) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-anilino-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-anilino-2,3-dihydroindene-1-carbonitrile
PubChem CID12740114
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name1-anilino-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(Nc2ccccc2)CCc2ccccc21
InChIInChI=1S/C16H14N2/c17-12-16(18-14-7-2-1-3-8-14)11-10-13-6-4-5-9-15(13)16/h1-9,18H,10-11H2
InChIKeyFJHYQELOQFBCKU-UHFFFAOYSA-N
XLogP3.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-anilino-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-anilino-2,3-dihydroindene-1-carbonitrile (CID 12740114) is 1-anilino-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-anilino-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-anilino-2,3-dihydroindene-1-carbonitrile is N#CC1(Nc2ccccc2)CCc2ccccc21.
What is the InChIKey of 1-anilino-2,3-dihydroindene-1-carbonitrile?
The InChIKey is FJHYQELOQFBCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-12-16(18-14-7-2-1-3-8-14)11-10-13-6-4-5-9-15(13)16/h1-9,18H,10-11H2.
What are the key properties of 1-anilino-2,3-dihydroindene-1-carbonitrile?
1-anilino-2,3-dihydroindene-1-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 12740114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).