2-amino-6,7-dimethyl-3H-indene-1-carbonitrile

C12H12N2 — CID 151420782

IUPAC2-amino-6,7-dimethyl-3H-indene-1-carbonitrile
SMILESCc1ccc2c(c1C)C(C#N)=C(N)C2
InChIInChI=1S/C12H12N2/c1-7-3-4-9-5-11(14)10(6-13)12(9)8(7)2/h3-4H,5,14H2,1-2H3
InChIKeyPAMNCKZRHZQTFE-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.05
Rot. Bonds

About 2-amino-6,7-dimethyl-3H-indene-1-carbonitrile

2-amino-6,7-dimethyl-3H-indene-1-carbonitrile (PubChem CID 151420782) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-amino-6,7-dimethyl-3H-indene-1-carbonitrile.

Molecular Properties

Compound Name2-amino-6,7-dimethyl-3H-indene-1-carbonitrile
PubChem CID151420782
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-amino-6,7-dimethyl-3H-indene-1-carbonitrile
SMILESCc1ccc2c(c1C)C(C#N)=C(N)C2
InChIInChI=1S/C12H12N2/c1-7-3-4-9-5-11(14)10(6-13)12(9)8(7)2/h3-4H,5,14H2,1-2H3
InChIKeyPAMNCKZRHZQTFE-UHFFFAOYSA-N
XLogP2.05
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dimethyl-3H-indene-1-carbonitrile?
The IUPAC name of 2-amino-6,7-dimethyl-3H-indene-1-carbonitrile (CID 151420782) is 2-amino-6,7-dimethyl-3H-indene-1-carbonitrile.
What is the SMILES notation for 2-amino-6,7-dimethyl-3H-indene-1-carbonitrile?
The canonical SMILES for 2-amino-6,7-dimethyl-3H-indene-1-carbonitrile is Cc1ccc2c(c1C)C(C#N)=C(N)C2.
What is the InChIKey of 2-amino-6,7-dimethyl-3H-indene-1-carbonitrile?
The InChIKey is PAMNCKZRHZQTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-7-3-4-9-5-11(14)10(6-13)12(9)8(7)2/h3-4H,5,14H2,1-2H3.
What are the key properties of 2-amino-6,7-dimethyl-3H-indene-1-carbonitrile?
2-amino-6,7-dimethyl-3H-indene-1-carbonitrile has a molecular weight of 184.24 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dimethyl-3H-indene-1-carbonitrile is sourced from PubChem (CID 151420782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).