3-methyl-3,8a-dihydroquinoline

C10H11N — CID 58797905

IUPAC3-methyl-3,8a-dihydroquinoline
SMILESCC1C=NC2C=CC=CC2=C1
InChIInChI=1S/C10H11N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-8,10H,1H3
InChIKeyRQGBGYQNMGWQRV-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.13
Rot. Bonds

About 3-methyl-3,8a-dihydroquinoline

3-methyl-3,8a-dihydroquinoline (PubChem CID 58797905) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-methyl-3,8a-dihydroquinoline.

Molecular Properties

Compound Name3-methyl-3,8a-dihydroquinoline
PubChem CID58797905
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3-methyl-3,8a-dihydroquinoline
SMILESCC1C=NC2C=CC=CC2=C1
InChIInChI=1S/C10H11N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-8,10H,1H3
InChIKeyRQGBGYQNMGWQRV-UHFFFAOYSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,8a-dihydroquinoline?
The IUPAC name of 3-methyl-3,8a-dihydroquinoline (CID 58797905) is 3-methyl-3,8a-dihydroquinoline.
What is the SMILES notation for 3-methyl-3,8a-dihydroquinoline?
The canonical SMILES for 3-methyl-3,8a-dihydroquinoline is CC1C=NC2C=CC=CC2=C1.
What is the InChIKey of 3-methyl-3,8a-dihydroquinoline?
The InChIKey is RQGBGYQNMGWQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-8,10H,1H3.
What are the key properties of 3-methyl-3,8a-dihydroquinoline?
3-methyl-3,8a-dihydroquinoline has a molecular weight of 145.20 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,8a-dihydroquinoline is sourced from PubChem (CID 58797905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).