2,3-dihydro-1H-indole-7-carbonitrile

C9H8N2 — CID 4188047

IUPAC2,3-dihydro-1H-indole-7-carbonitrile
SMILESN#Cc1cccc2c1NCC2
InChIInChI=1S/C9H8N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-3,11H,4-5H2
InChIKeyYABRSQUYXZGQBW-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.53
Rot. Bonds

About 2,3-dihydro-1H-indole-7-carbonitrile

2,3-dihydro-1H-indole-7-carbonitrile (PubChem CID 4188047) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2,3-dihydro-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name2,3-dihydro-1H-indole-7-carbonitrile
PubChem CID4188047
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2,3-dihydro-1H-indole-7-carbonitrile
SMILESN#Cc1cccc2c1NCC2
InChIInChI=1S/C9H8N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-3,11H,4-5H2
InChIKeyYABRSQUYXZGQBW-UHFFFAOYSA-N
XLogP1.53
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indole-7-carbonitrile?
The IUPAC name of 2,3-dihydro-1H-indole-7-carbonitrile (CID 4188047) is 2,3-dihydro-1H-indole-7-carbonitrile.
What is the SMILES notation for 2,3-dihydro-1H-indole-7-carbonitrile?
The canonical SMILES for 2,3-dihydro-1H-indole-7-carbonitrile is N#Cc1cccc2c1NCC2.
What is the InChIKey of 2,3-dihydro-1H-indole-7-carbonitrile?
The InChIKey is YABRSQUYXZGQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-3,11H,4-5H2.
What are the key properties of 2,3-dihydro-1H-indole-7-carbonitrile?
2,3-dihydro-1H-indole-7-carbonitrile has a molecular weight of 144.18 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indole-7-carbonitrile is sourced from PubChem (CID 4188047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).