2,3,4,5-tetrahydro-1H-indole-2-carbonitrile

C9H10N2 — CID 163298156

IUPAC2,3,4,5-tetrahydro-1H-indole-2-carbonitrile
SMILESN#CC1CC2=C(C=CCC2)N1
InChIInChI=1S/C9H10N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h2,4,8,11H,1,3,5H2
InChIKeyJVDJJGOJFRMRAI-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.48
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-indole-2-carbonitrile

2,3,4,5-tetrahydro-1H-indole-2-carbonitrile (PubChem CID 163298156) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-indole-2-carbonitrile.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-indole-2-carbonitrile
PubChem CID163298156
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2,3,4,5-tetrahydro-1H-indole-2-carbonitrile
SMILESN#CC1CC2=C(C=CCC2)N1
InChIInChI=1S/C9H10N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h2,4,8,11H,1,3,5H2
InChIKeyJVDJJGOJFRMRAI-UHFFFAOYSA-N
XLogP1.48
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.48
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 2,3,4,5-tetrahydro-1H-indole-2-carbonitrile?
The IUPAC name of 2,3,4,5-tetrahydro-1H-indole-2-carbonitrile (CID 163298156) is 2,3,4,5-tetrahydro-1H-indole-2-carbonitrile.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-indole-2-carbonitrile?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-indole-2-carbonitrile is N#CC1CC2=C(C=CCC2)N1.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-indole-2-carbonitrile?
The InChIKey is JVDJJGOJFRMRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h2,4,8,11H,1,3,5H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-indole-2-carbonitrile?
2,3,4,5-tetrahydro-1H-indole-2-carbonitrile has a molecular weight of 146.19 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-indole-2-carbonitrile is sourced from PubChem (CID 163298156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).