1,2-dimethyl-4a,8a-dihydro-4H-quinoline

C11H15N — CID 20647145

IUPAC1,2-dimethyl-4a,8a-dihydro-4H-quinoline
SMILESCC1=CCC2C=CC=CC2N1C
InChIInChI=1S/C11H15N/c1-9-7-8-10-5-3-4-6-11(10)12(9)2/h3-7,10-11H,8H2,1-2H3
InChIKeyYLUGXMWIJGSPJN-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.34
Rot. Bonds

About 1,2-dimethyl-4a,8a-dihydro-4H-quinoline

1,2-dimethyl-4a,8a-dihydro-4H-quinoline (PubChem CID 20647145) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1,2-dimethyl-4a,8a-dihydro-4H-quinoline.

Molecular Properties

Compound Name1,2-dimethyl-4a,8a-dihydro-4H-quinoline
PubChem CID20647145
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1,2-dimethyl-4a,8a-dihydro-4H-quinoline
SMILESCC1=CCC2C=CC=CC2N1C
InChIInChI=1S/C11H15N/c1-9-7-8-10-5-3-4-6-11(10)12(9)2/h3-7,10-11H,8H2,1-2H3
InChIKeyYLUGXMWIJGSPJN-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4a,8a-dihydro-4H-quinoline?
The IUPAC name of 1,2-dimethyl-4a,8a-dihydro-4H-quinoline (CID 20647145) is 1,2-dimethyl-4a,8a-dihydro-4H-quinoline.
What is the SMILES notation for 1,2-dimethyl-4a,8a-dihydro-4H-quinoline?
The canonical SMILES for 1,2-dimethyl-4a,8a-dihydro-4H-quinoline is CC1=CCC2C=CC=CC2N1C.
What is the InChIKey of 1,2-dimethyl-4a,8a-dihydro-4H-quinoline?
The InChIKey is YLUGXMWIJGSPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9-7-8-10-5-3-4-6-11(10)12(9)2/h3-7,10-11H,8H2,1-2H3.
What are the key properties of 1,2-dimethyl-4a,8a-dihydro-4H-quinoline?
1,2-dimethyl-4a,8a-dihydro-4H-quinoline has a molecular weight of 161.25 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4a,8a-dihydro-4H-quinoline is sourced from PubChem (CID 20647145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).