3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile

C10H12N2 — CID 142549074

IUPAC3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile
SMILESN#CC1CCCC2=C1N=CCC2
InChIInChI=1S/C10H12N2/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h6,9H,1-5H2
InChIKeyYKRROCPTUPJVDX-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.43
Rot. Bonds

About 3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile

3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile (PubChem CID 142549074) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile.

Molecular Properties

Compound Name3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile
PubChem CID142549074
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile
SMILESN#CC1CCCC2=C1N=CCC2
InChIInChI=1S/C10H12N2/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h6,9H,1-5H2
InChIKeyYKRROCPTUPJVDX-UHFFFAOYSA-N
XLogP2.43
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile?
The IUPAC name of 3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile (CID 142549074) is 3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile.
What is the SMILES notation for 3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile?
The canonical SMILES for 3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile is N#CC1CCCC2=C1N=CCC2.
What is the InChIKey of 3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile?
The InChIKey is YKRROCPTUPJVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h6,9H,1-5H2.
What are the key properties of 3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile?
3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile has a molecular weight of 160.22 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile is sourced from PubChem (CID 142549074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).