3,4-dimethyl-1,8a-dihydroquinolin-2-ol

C11H13NO — CID 142851568

IUPAC3,4-dimethyl-1,8a-dihydroquinolin-2-ol
SMILESCC1=C(O)NC2C=CC=CC2=C1C
InChIInChI=1S/C11H13NO/c1-7-8(2)11(13)12-10-6-4-3-5-9(7)10/h3-6,10,12-13H,1-2H3
InChIKeyOBNNSIWVSRQHRQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.19
Rot. Bonds

About 3,4-dimethyl-1,8a-dihydroquinolin-2-ol

3,4-dimethyl-1,8a-dihydroquinolin-2-ol (PubChem CID 142851568) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3,4-dimethyl-1,8a-dihydroquinolin-2-ol.

Molecular Properties

Compound Name3,4-dimethyl-1,8a-dihydroquinolin-2-ol
PubChem CID142851568
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3,4-dimethyl-1,8a-dihydroquinolin-2-ol
SMILESCC1=C(O)NC2C=CC=CC2=C1C
InChIInChI=1S/C11H13NO/c1-7-8(2)11(13)12-10-6-4-3-5-9(7)10/h3-6,10,12-13H,1-2H3
InChIKeyOBNNSIWVSRQHRQ-UHFFFAOYSA-N
XLogP2.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,8a-dihydroquinolin-2-ol?
The IUPAC name of 3,4-dimethyl-1,8a-dihydroquinolin-2-ol (CID 142851568) is 3,4-dimethyl-1,8a-dihydroquinolin-2-ol.
What is the SMILES notation for 3,4-dimethyl-1,8a-dihydroquinolin-2-ol?
The canonical SMILES for 3,4-dimethyl-1,8a-dihydroquinolin-2-ol is CC1=C(O)NC2C=CC=CC2=C1C.
What is the InChIKey of 3,4-dimethyl-1,8a-dihydroquinolin-2-ol?
The InChIKey is OBNNSIWVSRQHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7-8(2)11(13)12-10-6-4-3-5-9(7)10/h3-6,10,12-13H,1-2H3.
What are the key properties of 3,4-dimethyl-1,8a-dihydroquinolin-2-ol?
3,4-dimethyl-1,8a-dihydroquinolin-2-ol has a molecular weight of 175.23 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,8a-dihydroquinolin-2-ol is sourced from PubChem (CID 142851568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).