2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one

C15H13NO — CID 142684141

IUPAC2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one
SMILESCC1=C(c2ccc3ccccc3n2)CCC1=O
InChIInChI=1S/C15H13NO/c1-10-12(7-9-15(10)17)14-8-6-11-4-2-3-5-13(11)16-14/h2-6,8H,7,9H2,1H3
InChIKeyORTGIQGXINGHHZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.37
Rot. Bonds1

About 2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one

2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one (PubChem CID 142684141) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one
PubChem CID142684141
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one
SMILESCC1=C(c2ccc3ccccc3n2)CCC1=O
InChIInChI=1S/C15H13NO/c1-10-12(7-9-15(10)17)14-8-6-11-4-2-3-5-13(11)16-14/h2-6,8H,7,9H2,1H3
InChIKeyORTGIQGXINGHHZ-UHFFFAOYSA-N
XLogP3.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(5-methyl-2H-pyrrol-3-yl)quinoline
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iridium;tris(2-phenylquinoline)
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3-methyl-2-quinolin-2-ylsulfanylcyclohex-2-en-1-one
CID 101184028
2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one
CID 10561201
3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline
CID 54424126
2-(2,5-dimethylphenyl)quinoline
CID 1202732
ethane;2-quinolin-2-ylindene-1,3-dione
CID 123277831
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one?
The IUPAC name of 2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one (CID 142684141) is 2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one.
What is the SMILES notation for 2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one?
The canonical SMILES for 2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one is CC1=C(c2ccc3ccccc3n2)CCC1=O.
What is the InChIKey of 2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one?
The InChIKey is ORTGIQGXINGHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-10-12(7-9-15(10)17)14-8-6-11-4-2-3-5-13(11)16-14/h2-6,8H,7,9H2,1H3.
What are the key properties of 2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one?
2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one has a molecular weight of 223.28 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one is sourced from PubChem (CID 142684141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).