2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile

C16H14N2 — CID 28517433

IUPAC2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
SMILESN#Cc1ccccc1Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H14N2/c17-11-14-4-1-2-7-16(14)18-15-9-8-12-5-3-6-13(12)10-15/h1-2,4,7-10,18H,3,5-6H2
InChIKeyZPZBZQLUUCQPHG-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.79
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile

2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile (PubChem CID 28517433) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
PubChem CID28517433
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
SMILESN#Cc1ccccc1Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H14N2/c17-11-14-4-1-2-7-16(14)18-15-9-8-12-5-3-6-13(12)10-15/h1-2,4,7-10,18H,3,5-6H2
InChIKeyZPZBZQLUUCQPHG-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
CID 115499036
3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
CID 55196697
4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile
CID 43657118
N-(2-cyanophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 23963756
2-[3-(methylamino)anilino]benzonitrile
CID 117027188
2-(3-bromo-4-methylanilino)benzonitrile
CID 63512186
5-(2-cyanoanilino)-2-nitrobenzonitrile
CID 115500867
(2R)-N-(2-cyanophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide
CID 7643000
3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine
CID 80768030
2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8967856
2-(3,4-diethoxyanilino)benzonitrile
CID 28601733
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]benzonitrile
CID 28601545

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile (CID 28517433) is 2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile is N#Cc1ccccc1Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile?
The InChIKey is ZPZBZQLUUCQPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-11-14-4-1-2-7-16(14)18-15-9-8-12-5-3-6-13(12)10-15/h1-2,4,7-10,18H,3,5-6H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile?
2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile has a molecular weight of 234.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile is sourced from PubChem (CID 28517433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).