4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C11H12N2 — CID 82375874

IUPAC4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1c(C#N)cnc2c1CCCC2
InChIInChI=1S/C11H12N2/c1-8-9(6-12)7-13-11-5-3-2-4-10(8)11/h7H,2-5H2,1H3
InChIKeyAMZKLYLLVFWLBH-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.14
Rot. Bonds

About 4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 82375874) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID82375874
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1c(C#N)cnc2c1CCCC2
InChIInChI=1S/C11H12N2/c1-8-9(6-12)7-13-11-5-3-2-4-10(8)11/h7H,2-5H2,1H3
InChIKeyAMZKLYLLVFWLBH-UHFFFAOYSA-N
XLogP2.14
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 82375874) is 4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1c(C#N)cnc2c1CCCC2.
What is the InChIKey of 4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is AMZKLYLLVFWLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8-9(6-12)7-13-11-5-3-2-4-10(8)11/h7H,2-5H2,1H3.
What are the key properties of 4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 172.23 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 82375874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).