(2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one

C13H15NO — CID 144561524

IUPAC(2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one
SMILESC/C=C1/Nc2c(C)cccc2C(=O)C1C
InChIInChI=1S/C13H15NO/c1-4-11-9(3)13(15)10-7-5-6-8(2)12(10)14-11/h4-7,9,14H,1-3H3/b11-4+
InChIKeyVSEVZECTBYAGNC-NYYWCZLTSA-N
MW201.27 g/mol
LogP3.14
Rot. Bonds

About (2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one

(2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one (PubChem CID 144561524) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name(2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one
PubChem CID144561524
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one
SMILESC/C=C1/Nc2c(C)cccc2C(=O)C1C
InChIInChI=1S/C13H15NO/c1-4-11-9(3)13(15)10-7-5-6-8(2)12(10)14-11/h4-7,9,14H,1-3H3/b11-4+
InChIKeyVSEVZECTBYAGNC-NYYWCZLTSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one
CID 54239079
3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one
CID 130137705
(3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 131142499
7-methyl-3-(2-methylphenyl)imino-1H-indol-2-one
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9-fluoro-4-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one
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2,5-dimethyl-4H-1,4-benzothiazin-3-one
CID 84619183
3,4-dimethyl-2,3-dihydroisoindol-1-one
CID 56636550
4-tert-butyl-9-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 10610442
3-amino-5-(4-fluorophenyl)-9-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 90072149
3,3,4-trimethyl-2H-inden-1-one
CID 22924740
7-methyl-3-[(2-methylcyclopropyl)amino]-1,3-dihydroindol-2-one
CID 115001699
(3Z)-3-ethylidene-4-methyl-1H-indol-2-one
CID 58635316

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one?
The IUPAC name of (2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one (CID 144561524) is (2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for (2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one?
The canonical SMILES for (2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one is C/C=C1/Nc2c(C)cccc2C(=O)C1C.
What is the InChIKey of (2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one?
The InChIKey is VSEVZECTBYAGNC-NYYWCZLTSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-11-9(3)13(15)10-7-5-6-8(2)12(10)14-11/h4-7,9,14H,1-3H3/b11-4+.
What are the key properties of (2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one?
(2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one has a molecular weight of 201.27 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 144561524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).