1,2,3,4,5,6-hexahydroquinoline-3-carbonitrile

C10H12N2 — CID 141238461

IUPAC1,2,3,4,5,6-hexahydroquinoline-3-carbonitrile
SMILESN#CC1CNC2=C(CCC=C2)C1
InChIInChI=1S/C10H12N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h2,4,8,12H,1,3,5,7H2
InChIKeyIHINCYMFYXHVAY-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.72
Rot. Bonds

About 1,2,3,4,5,6-hexahydroquinoline-3-carbonitrile

1,2,3,4,5,6-hexahydroquinoline-3-carbonitrile (PubChem CID 141238461) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name1,2,3,4,5,6-hexahydroquinoline-3-carbonitrile
PubChem CID141238461
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1,2,3,4,5,6-hexahydroquinoline-3-carbonitrile
SMILESN#CC1CNC2=C(CCC=C2)C1
InChIInChI=1S/C10H12N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h2,4,8,12H,1,3,5,7H2
InChIKeyIHINCYMFYXHVAY-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 1,2,3,4,5,6-hexahydroquinoline-3-carbonitrile?
The IUPAC name of 1,2,3,4,5,6-hexahydroquinoline-3-carbonitrile (CID 141238461) is 1,2,3,4,5,6-hexahydroquinoline-3-carbonitrile.
What is the SMILES notation for 1,2,3,4,5,6-hexahydroquinoline-3-carbonitrile?
The canonical SMILES for 1,2,3,4,5,6-hexahydroquinoline-3-carbonitrile is N#CC1CNC2=C(CCC=C2)C1.
What is the InChIKey of 1,2,3,4,5,6-hexahydroquinoline-3-carbonitrile?
The InChIKey is IHINCYMFYXHVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h2,4,8,12H,1,3,5,7H2.
What are the key properties of 1,2,3,4,5,6-hexahydroquinoline-3-carbonitrile?
1,2,3,4,5,6-hexahydroquinoline-3-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 1,2,3,4,5,6-hexahydroquinoline-3-carbonitrile is sourced from PubChem (CID 141238461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).