(8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile

C11H12N2 — CID 175958582

IUPAC(8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile
SMILESCc1ccnc2c1CCC[C@H]2C#N
InChIInChI=1S/C11H12N2/c1-8-5-6-13-11-9(7-12)3-2-4-10(8)11/h5-6,9H,2-4H2,1H3/t9-/m0/s1
InChIKeyXYLGEZCKCREMFZ-VIFPVBQESA-N
MW172.23 g/mol
LogP2.33
Rot. Bonds

About (8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile

(8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile (PubChem CID 175958582) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile.

Molecular Properties

Compound Name(8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile
PubChem CID175958582
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile
SMILESCc1ccnc2c1CCC[C@H]2C#N
InChIInChI=1S/C11H12N2/c1-8-5-6-13-11-9(7-12)3-2-4-10(8)11/h5-6,9H,2-4H2,1H3/t9-/m0/s1
InChIKeyXYLGEZCKCREMFZ-VIFPVBQESA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile?
The IUPAC name of (8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile (CID 175958582) is (8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile.
What is the SMILES notation for (8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile?
The canonical SMILES for (8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile is Cc1ccnc2c1CCC[C@H]2C#N.
What is the InChIKey of (8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile?
The InChIKey is XYLGEZCKCREMFZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N2/c1-8-5-6-13-11-9(7-12)3-2-4-10(8)11/h5-6,9H,2-4H2,1H3/t9-/m0/s1.
What are the key properties of (8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile?
(8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile has a molecular weight of 172.23 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile is sourced from PubChem (CID 175958582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).