1-amino-3H-indene-4-carbonitrile

C10H8N2 — CID 146534450

IUPAC1-amino-3H-indene-4-carbonitrile
SMILESN#Cc1cccc2c1CC=C2N
InChIInChI=1S/C10H8N2/c11-6-7-2-1-3-9-8(7)4-5-10(9)12/h1-3,5H,4,12H2
InChIKeyUTUNCTWZOSVSPT-UHFFFAOYSA-N
MW156.19 g/mol
LogP1.41
Rot. Bonds

About 1-amino-3H-indene-4-carbonitrile

1-amino-3H-indene-4-carbonitrile (PubChem CID 146534450) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-amino-3H-indene-4-carbonitrile.

Molecular Properties

Compound Name1-amino-3H-indene-4-carbonitrile
PubChem CID146534450
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name1-amino-3H-indene-4-carbonitrile
SMILESN#Cc1cccc2c1CC=C2N
InChIInChI=1S/C10H8N2/c11-6-7-2-1-3-9-8(7)4-5-10(9)12/h1-3,5H,4,12H2
InChIKeyUTUNCTWZOSVSPT-UHFFFAOYSA-N
XLogP1.41
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3H-indene-4-carbonitrile?
The IUPAC name of 1-amino-3H-indene-4-carbonitrile (CID 146534450) is 1-amino-3H-indene-4-carbonitrile.
What is the SMILES notation for 1-amino-3H-indene-4-carbonitrile?
The canonical SMILES for 1-amino-3H-indene-4-carbonitrile is N#Cc1cccc2c1CC=C2N.
What is the InChIKey of 1-amino-3H-indene-4-carbonitrile?
The InChIKey is UTUNCTWZOSVSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c11-6-7-2-1-3-9-8(7)4-5-10(9)12/h1-3,5H,4,12H2.
What are the key properties of 1-amino-3H-indene-4-carbonitrile?
1-amino-3H-indene-4-carbonitrile has a molecular weight of 156.19 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3H-indene-4-carbonitrile is sourced from PubChem (CID 146534450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).