3a,7a-dihydro-1H-indole-5-carbonitrile

C9H8N2 — CID 146164062

IUPAC3a,7a-dihydro-1H-indole-5-carbonitrile
SMILESN#CC1=CC2C=CNC2C=C1
InChIInChI=1S/C9H8N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,8-9,11H
InChIKeyBMWCGCYUDLAYFL-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.11
Rot. Bonds

About 3a,7a-dihydro-1H-indole-5-carbonitrile

3a,7a-dihydro-1H-indole-5-carbonitrile (PubChem CID 146164062) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 3a,7a-dihydro-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3a,7a-dihydro-1H-indole-5-carbonitrile
PubChem CID146164062
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name3a,7a-dihydro-1H-indole-5-carbonitrile
SMILESN#CC1=CC2C=CNC2C=C1
InChIInChI=1S/C9H8N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,8-9,11H
InChIKeyBMWCGCYUDLAYFL-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-1H-indole-5-carbonitrile?
The IUPAC name of 3a,7a-dihydro-1H-indole-5-carbonitrile (CID 146164062) is 3a,7a-dihydro-1H-indole-5-carbonitrile.
What is the SMILES notation for 3a,7a-dihydro-1H-indole-5-carbonitrile?
The canonical SMILES for 3a,7a-dihydro-1H-indole-5-carbonitrile is N#CC1=CC2C=CNC2C=C1.
What is the InChIKey of 3a,7a-dihydro-1H-indole-5-carbonitrile?
The InChIKey is BMWCGCYUDLAYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,8-9,11H.
What are the key properties of 3a,7a-dihydro-1H-indole-5-carbonitrile?
3a,7a-dihydro-1H-indole-5-carbonitrile has a molecular weight of 144.18 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-1H-indole-5-carbonitrile is sourced from PubChem (CID 146164062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).