1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one

C13H13NO2 — CID 82284659

IUPAC1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one
SMILESC=CC(=O)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C13H13NO2/c1-3-12(15)10-4-6-11-9(8-10)5-7-13(16)14(11)2/h3-4,6,8H,1,5,7H2,2H3
InChIKeyOKQWNZJLKPPUKP-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.96
Rot. Bonds2

About 1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one

1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one (PubChem CID 82284659) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one
PubChem CID82284659
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one
SMILESC=CC(=O)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C13H13NO2/c1-3-12(15)10-4-6-11-9(8-10)5-7-13(16)14(11)2/h3-4,6,8H,1,5,7H2,2H3
InChIKeyOKQWNZJLKPPUKP-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-oxobut-2-enoic acid
CID 77054964
1-methyl-6-(1-methylcyclopropanecarbonyl)-3,4-dihydroquinolin-2-one
CID 82293701
6-(4-bromobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096081
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butane-1,3-dione
CID 82294637
3-bromo-1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propane-1,2-dione
CID 116822726
1-methyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 52986183
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
3-[3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-oxoprop-1-enyl]benzoic acid
CID 126801695
6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116921112
6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116826594
5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid
CID 63095218
1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one
CID 63097473

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one (CID 82284659) is 1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one is C=CC(=O)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one?
The InChIKey is OKQWNZJLKPPUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-3-12(15)10-4-6-11-9(8-10)5-7-13(16)14(11)2/h3-4,6,8H,1,5,7H2,2H3.
What are the key properties of 1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one?
1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one has a molecular weight of 215.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 82284659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).