3-amino-2,3-dihydro-1H-indole-6-carbonitrile

C9H9N3 — CID 143272834

IUPAC3-amino-2,3-dihydro-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(c1)NCC2N
InChIInChI=1S/C9H9N3/c10-4-6-1-2-7-8(11)5-12-9(7)3-6/h1-3,8,12H,5,11H2
InChIKeyFBWMBWDFJZYVRT-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.98
Rot. Bonds

About 3-amino-2,3-dihydro-1H-indole-6-carbonitrile

3-amino-2,3-dihydro-1H-indole-6-carbonitrile (PubChem CID 143272834) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-amino-2,3-dihydro-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-amino-2,3-dihydro-1H-indole-6-carbonitrile
PubChem CID143272834
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name3-amino-2,3-dihydro-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(c1)NCC2N
InChIInChI=1S/C9H9N3/c10-4-6-1-2-7-8(11)5-12-9(7)3-6/h1-3,8,12H,5,11H2
InChIKeyFBWMBWDFJZYVRT-UHFFFAOYSA-N
XLogP0.98
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,3-dihydro-1H-indole-6-carbonitrile?
The IUPAC name of 3-amino-2,3-dihydro-1H-indole-6-carbonitrile (CID 143272834) is 3-amino-2,3-dihydro-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-amino-2,3-dihydro-1H-indole-6-carbonitrile?
The canonical SMILES for 3-amino-2,3-dihydro-1H-indole-6-carbonitrile is N#Cc1ccc2c(c1)NCC2N.
What is the InChIKey of 3-amino-2,3-dihydro-1H-indole-6-carbonitrile?
The InChIKey is FBWMBWDFJZYVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-4-6-1-2-7-8(11)5-12-9(7)3-6/h1-3,8,12H,5,11H2.
What are the key properties of 3-amino-2,3-dihydro-1H-indole-6-carbonitrile?
3-amino-2,3-dihydro-1H-indole-6-carbonitrile has a molecular weight of 159.19 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,3-dihydro-1H-indole-6-carbonitrile is sourced from PubChem (CID 143272834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).