1-amino-2,3-dihydroindole-4-carbonitrile

C9H9N3 — CID 175227069

IUPAC1-amino-2,3-dihydroindole-4-carbonitrile
SMILESN#Cc1cccc2c1CCN2N
InChIInChI=1S/C9H9N3/c10-6-7-2-1-3-9-8(7)4-5-12(9)11/h1-3H,4-5,11H2
InChIKeySZZJEXAXYOGJAA-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.79
Rot. Bonds

About 1-amino-2,3-dihydroindole-4-carbonitrile

1-amino-2,3-dihydroindole-4-carbonitrile (PubChem CID 175227069) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-amino-2,3-dihydroindole-4-carbonitrile.

Molecular Properties

Compound Name1-amino-2,3-dihydroindole-4-carbonitrile
PubChem CID175227069
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name1-amino-2,3-dihydroindole-4-carbonitrile
SMILESN#Cc1cccc2c1CCN2N
InChIInChI=1S/C9H9N3/c10-6-7-2-1-3-9-8(7)4-5-12(9)11/h1-3H,4-5,11H2
InChIKeySZZJEXAXYOGJAA-UHFFFAOYSA-N
XLogP0.79
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-2,3-dihydroindole-4-carbonitrile
CID 82655574
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile
CID 119008445
2-methyl-3,4-dihydro-1H-isoquinoline-5-carbonitrile
CID 14528786
1-(2-chloroacetyl)-3,4-dihydro-2H-quinoline-5-carbonitrile
CID 166409152
2-methyl-3-pyrrolidin-1-ylbenzonitrile
CID 90003255
2-(2,5-dihydropyrrol-1-yl)benzonitrile
CID 55265767
2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile
CID 94340791
2-(4-methylpiperazin-1-yl)benzonitrile
CID 13048190
2-morpholin-4-ylbenzonitrile
CID 2737012
1-(2-methyl-6-oxopiperidine-4-carbonyl)-2,3-dihydroindole-4-carbonitrile
CID 167761414
2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 21297635
4-amino-1-(2-cyanophenyl)piperidine-4-carbonitrile
CID 117013110

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3-dihydroindole-4-carbonitrile?
The IUPAC name of 1-amino-2,3-dihydroindole-4-carbonitrile (CID 175227069) is 1-amino-2,3-dihydroindole-4-carbonitrile.
What is the SMILES notation for 1-amino-2,3-dihydroindole-4-carbonitrile?
The canonical SMILES for 1-amino-2,3-dihydroindole-4-carbonitrile is N#Cc1cccc2c1CCN2N.
What is the InChIKey of 1-amino-2,3-dihydroindole-4-carbonitrile?
The InChIKey is SZZJEXAXYOGJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-6-7-2-1-3-9-8(7)4-5-12(9)11/h1-3H,4-5,11H2.
What are the key properties of 1-amino-2,3-dihydroindole-4-carbonitrile?
1-amino-2,3-dihydroindole-4-carbonitrile has a molecular weight of 159.19 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3-dihydroindole-4-carbonitrile is sourced from PubChem (CID 175227069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).