1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile

C10H12N2 — CID 70561043

IUPAC1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile
SMILESN#CC1CCCC2=C1NCC=C2
InChIInChI=1S/C10H12N2/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h2,5,9,12H,1,3-4,6H2
InChIKeyWUJUDSNBEAQUIM-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.72
Rot. Bonds

About 1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile

1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile (PubChem CID 70561043) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile.

Molecular Properties

Compound Name1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile
PubChem CID70561043
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile
SMILESN#CC1CCCC2=C1NCC=C2
InChIInChI=1S/C10H12N2/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h2,5,9,12H,1,3-4,6H2
InChIKeyWUJUDSNBEAQUIM-UHFFFAOYSA-N
XLogP1.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile?
The IUPAC name of 1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile (CID 70561043) is 1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile.
What is the SMILES notation for 1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile?
The canonical SMILES for 1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile is N#CC1CCCC2=C1NCC=C2.
What is the InChIKey of 1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile?
The InChIKey is WUJUDSNBEAQUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h2,5,9,12H,1,3-4,6H2.
What are the key properties of 1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile?
1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile has a molecular weight of 160.22 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6,7,8-hexahydroquinoline-8-carbonitrile is sourced from PubChem (CID 70561043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).