3-methyl-1,8a-dihydroquinoline

C10H11N — CID 129029653

IUPAC3-methyl-1,8a-dihydroquinoline
SMILESCC1=CNC2C=CC=CC2=C1
InChIInChI=1S/C10H11N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7,10-11H,1H3
InChIKeyGMRMDGGODDGALI-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.91
Rot. Bonds

About 3-methyl-1,8a-dihydroquinoline

3-methyl-1,8a-dihydroquinoline (PubChem CID 129029653) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-methyl-1,8a-dihydroquinoline.

Molecular Properties

Compound Name3-methyl-1,8a-dihydroquinoline
PubChem CID129029653
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3-methyl-1,8a-dihydroquinoline
SMILESCC1=CNC2C=CC=CC2=C1
InChIInChI=1S/C10H11N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7,10-11H,1H3
InChIKeyGMRMDGGODDGALI-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,8a-dihydroquinoline?
The IUPAC name of 3-methyl-1,8a-dihydroquinoline (CID 129029653) is 3-methyl-1,8a-dihydroquinoline.
What is the SMILES notation for 3-methyl-1,8a-dihydroquinoline?
The canonical SMILES for 3-methyl-1,8a-dihydroquinoline is CC1=CNC2C=CC=CC2=C1.
What is the InChIKey of 3-methyl-1,8a-dihydroquinoline?
The InChIKey is GMRMDGGODDGALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7,10-11H,1H3.
What are the key properties of 3-methyl-1,8a-dihydroquinoline?
3-methyl-1,8a-dihydroquinoline has a molecular weight of 145.20 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,8a-dihydroquinoline is sourced from PubChem (CID 129029653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).