3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one

C15H17NO — CID 104787921

IUPAC3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one
SMILESCC1Cc2ccccc2N(C2=CC(=O)CC2)C1
InChIInChI=1S/C15H17NO/c1-11-8-12-4-2-3-5-15(12)16(10-11)13-6-7-14(17)9-13/h2-5,9,11H,6-8,10H2,1H3
InChIKeyGHTWRBWGZYYYRO-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.93
Rot. Bonds1

About 3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one

3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one (PubChem CID 104787921) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one
PubChem CID104787921
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one
SMILESCC1Cc2ccccc2N(C2=CC(=O)CC2)C1
InChIInChI=1S/C15H17NO/c1-11-8-12-4-2-3-5-15(12)16(10-11)13-6-7-14(17)9-13/h2-5,9,11H,6-8,10H2,1H3
InChIKeyGHTWRBWGZYYYRO-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63533302
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one
CID 114762215
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
1-(6-chloro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63587479
3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115550530
3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 106890411
4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 65342629
2-bromo-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-thiadiazole
CID 64622242
3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
CID 63378163
1-[2-(bromomethyl)-3-chlorophenyl]-3-methyl-3,4-dihydro-2H-quinoline
CID 107083487
1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 110415887
3-amino-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile
CID 103468438

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one (CID 104787921) is 3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one is CC1Cc2ccccc2N(C2=CC(=O)CC2)C1.
What is the InChIKey of 3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one?
The InChIKey is GHTWRBWGZYYYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-8-12-4-2-3-5-15(12)16(10-11)13-6-7-14(17)9-13/h2-5,9,11H,6-8,10H2,1H3.
What are the key properties of 3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one?
3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one has a molecular weight of 227.31 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 104787921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).