1,2,3,4-tetrahydroquinoline-6-carbonitrile

C10H10N2 — CID 14665413

IUPAC1,2,3,4-tetrahydroquinoline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C10H10N2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6,12H,1-2,5H2
InChIKeyYPCHNZDCUARXNN-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.92
Rot. Bonds

About 1,2,3,4-tetrahydroquinoline-6-carbonitrile

1,2,3,4-tetrahydroquinoline-6-carbonitrile (PubChem CID 14665413) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinoline-6-carbonitrile.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinoline-6-carbonitrile
PubChem CID14665413
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1,2,3,4-tetrahydroquinoline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C10H10N2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6,12H,1-2,5H2
InChIKeyYPCHNZDCUARXNN-UHFFFAOYSA-N
XLogP1.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.92
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-tetrahydroquinoline-6-carbonitrile?
The IUPAC name of 1,2,3,4-tetrahydroquinoline-6-carbonitrile (CID 14665413) is 1,2,3,4-tetrahydroquinoline-6-carbonitrile.
What is the SMILES notation for 1,2,3,4-tetrahydroquinoline-6-carbonitrile?
The canonical SMILES for 1,2,3,4-tetrahydroquinoline-6-carbonitrile is N#Cc1ccc2c(c1)CCCN2.
What is the InChIKey of 1,2,3,4-tetrahydroquinoline-6-carbonitrile?
The InChIKey is YPCHNZDCUARXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6,12H,1-2,5H2.
What are the key properties of 1,2,3,4-tetrahydroquinoline-6-carbonitrile?
1,2,3,4-tetrahydroquinoline-6-carbonitrile has a molecular weight of 158.20 g/mol, XLogP of 1.92, 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-tetrahydroquinoline-6-carbonitrile is sourced from PubChem (CID 14665413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).