5-amino-2,3-dihydro-1H-indene-2-carbonitrile

C10H10N2 — CID 18958964

IUPAC5-amino-2,3-dihydro-1H-indene-2-carbonitrile
SMILESN#CC1Cc2ccc(N)cc2C1
InChIInChI=1S/C10H10N2/c11-6-7-3-8-1-2-10(12)5-9(8)4-7/h1-2,5,7H,3-4,12H2
InChIKeyKZVQJXBHVLXXOW-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.51
Rot. Bonds

About 5-amino-2,3-dihydro-1H-indene-2-carbonitrile

5-amino-2,3-dihydro-1H-indene-2-carbonitrile (PubChem CID 18958964) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-amino-2,3-dihydro-1H-indene-2-carbonitrile.

Molecular Properties

Compound Name5-amino-2,3-dihydro-1H-indene-2-carbonitrile
PubChem CID18958964
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name5-amino-2,3-dihydro-1H-indene-2-carbonitrile
SMILESN#CC1Cc2ccc(N)cc2C1
InChIInChI=1S/C10H10N2/c11-6-7-3-8-1-2-10(12)5-9(8)4-7/h1-2,5,7H,3-4,12H2
InChIKeyKZVQJXBHVLXXOW-UHFFFAOYSA-N
XLogP1.51
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dihydro-1H-indene-2-carbonitrile?
The IUPAC name of 5-amino-2,3-dihydro-1H-indene-2-carbonitrile (CID 18958964) is 5-amino-2,3-dihydro-1H-indene-2-carbonitrile.
What is the SMILES notation for 5-amino-2,3-dihydro-1H-indene-2-carbonitrile?
The canonical SMILES for 5-amino-2,3-dihydro-1H-indene-2-carbonitrile is N#CC1Cc2ccc(N)cc2C1.
What is the InChIKey of 5-amino-2,3-dihydro-1H-indene-2-carbonitrile?
The InChIKey is KZVQJXBHVLXXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c11-6-7-3-8-1-2-10(12)5-9(8)4-7/h1-2,5,7H,3-4,12H2.
What are the key properties of 5-amino-2,3-dihydro-1H-indene-2-carbonitrile?
5-amino-2,3-dihydro-1H-indene-2-carbonitrile has a molecular weight of 158.20 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dihydro-1H-indene-2-carbonitrile is sourced from PubChem (CID 18958964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).