(3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one

C11H13NO — CID 40508089

IUPAC(3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one
SMILESC[C@@H]1CN(C)c2ccccc2C1=O
InChIInChI=1S/C11H13NO/c1-8-7-12(2)10-6-4-3-5-9(10)11(8)13/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyIWTPNBHUUFMRKF-MRVPVSSYSA-N
MW175.23 g/mol
LogP1.96
Rot. Bonds

About (3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one

(3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one (PubChem CID 40508089) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name(3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one
PubChem CID40508089
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one
SMILESC[C@@H]1CN(C)c2ccccc2C1=O
InChIInChI=1S/C11H13NO/c1-8-7-12(2)10-6-4-3-5-9(10)11(8)13/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyIWTPNBHUUFMRKF-MRVPVSSYSA-N
XLogP1.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 171063228
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CID 3756042
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CID 24973063
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(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one
CID 56958885
1,4-dimethyl-2,3,4,5,6,7-hexahydro-1,7-benzodiazecin-8-one
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(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
1-methyl-3-phenyl-2,4-dihydro-1,3,4-benzotriazepin-5-one
CID 71577147
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Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one?
The IUPAC name of (3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one (CID 40508089) is (3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for (3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for (3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one is C[C@@H]1CN(C)c2ccccc2C1=O.
What is the InChIKey of (3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one?
The InChIKey is IWTPNBHUUFMRKF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-7-12(2)10-6-4-3-5-9(10)11(8)13/h3-6,8H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one?
(3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one has a molecular weight of 175.23 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 40508089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).