5-methyl-4,4a-dihydroquinoline

C10H11N — CID 88988299

IUPAC5-methyl-4,4a-dihydroquinoline
SMILESCC1=CC=CC2=NC=CCC12
InChIInChI=1S/C10H11N/c1-8-4-2-6-10-9(8)5-3-7-11-10/h2-4,6-7,9H,5H2,1H3
InChIKeyMGNSJAARQUAKJH-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.48
Rot. Bonds

About 5-methyl-4,4a-dihydroquinoline

5-methyl-4,4a-dihydroquinoline (PubChem CID 88988299) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 5-methyl-4,4a-dihydroquinoline.

Molecular Properties

Compound Name5-methyl-4,4a-dihydroquinoline
PubChem CID88988299
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name5-methyl-4,4a-dihydroquinoline
SMILESCC1=CC=CC2=NC=CCC12
InChIInChI=1S/C10H11N/c1-8-4-2-6-10-9(8)5-3-7-11-10/h2-4,6-7,9H,5H2,1H3
InChIKeyMGNSJAARQUAKJH-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-Dihydroquinoline
CID 129722681
Benzo[c]indole
CID 148242567
3-Fluoro-5-propan-2-yl-2,3-dihydroquinoline
CID 163719688
2-Methyl-6-(trifluoromethyl)-4,4a-dihydroquinoline
CID 164090413
N-[(1Z,4E)-4-[4-(2,2-difluoroethyl)cyclohexa-1,5-dien-1-yl]hexa-1,4-dienyl]-3-methylbut-3-en-2-imine
CID 169622900
2-Ethyl-3h-pyrrolo[2,3-h]-quinoline
CID 129782376
4h-Indenopyridine
CID 129788783
Benzo[e][1,4]benzodiazepine
CID 138986909
6-Ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline
CID 143910995
(Z)-N-ethenyl-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethylhept-3-en-2-imine
CID 144383744
(3Z)-11-fluoro-4-methyl-2-azabicyclo[6.5.0]trideca-1,3,6,10,12-pentaene
CID 144450432
7-methyl-7H-indole
CID 20381758

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,4a-dihydroquinoline?
The IUPAC name of 5-methyl-4,4a-dihydroquinoline (CID 88988299) is 5-methyl-4,4a-dihydroquinoline.
What is the SMILES notation for 5-methyl-4,4a-dihydroquinoline?
The canonical SMILES for 5-methyl-4,4a-dihydroquinoline is CC1=CC=CC2=NC=CCC12.
What is the InChIKey of 5-methyl-4,4a-dihydroquinoline?
The InChIKey is MGNSJAARQUAKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-4-2-6-10-9(8)5-3-7-11-10/h2-4,6-7,9H,5H2,1H3.
What are the key properties of 5-methyl-4,4a-dihydroquinoline?
5-methyl-4,4a-dihydroquinoline has a molecular weight of 145.20 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,4a-dihydroquinoline is sourced from PubChem (CID 88988299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).