(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one

C11H13NO — CID 92982773

IUPAC(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc2c(c1)C[C@@H](C)C(=O)N2
InChIInChI=1S/C11H13NO/c1-7-3-4-10-9(5-7)6-8(2)11(13)12-10/h3-5,8H,6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyJMRPBKBREZEETF-MRVPVSSYSA-N
MW175.23 g/mol
LogP2.13
Rot. Bonds

About (3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one

(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 92982773) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID92982773
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc2c(c1)C[C@@H](C)C(=O)N2
InChIInChI=1S/C11H13NO/c1-7-3-4-10-9(5-7)6-8(2)11(13)12-10/h3-5,8H,6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyJMRPBKBREZEETF-MRVPVSSYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 92982773) is (3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one is Cc1ccc2c(c1)C[C@@H](C)C(=O)N2.
What is the InChIKey of (3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JMRPBKBREZEETF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7-3-4-10-9(5-7)6-8(2)11(13)12-10/h3-5,8H,6H2,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one?
(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 175.23 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 92982773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).