5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one

C15H17NO — CID 142308287

IUPAC5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one
SMILESC=C(CCC(C)=O)C1=c2ccccc2=NCC1
InChIInChI=1S/C15H17NO/c1-11(7-8-12(2)17)13-9-10-16-15-6-4-3-5-14(13)15/h3-6H,1,7-10H2,2H3
InChIKeyNRYQWLCMBZPOKN-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.79
Rot. Bonds4

About 5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one

5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one (PubChem CID 142308287) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one.

Molecular Properties

Compound Name5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one
PubChem CID142308287
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one
SMILESC=C(CCC(C)=O)C1=c2ccccc2=NCC1
InChIInChI=1S/C15H17NO/c1-11(7-8-12(2)17)13-9-10-16-15-6-4-3-5-14(13)15/h3-6H,1,7-10H2,2H3
InChIKeyNRYQWLCMBZPOKN-UHFFFAOYSA-N
XLogP1.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Ethylidene-3,4,5,6-tetrahydro-2-pyridinyl)ethanone
CID 45085810
2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine
CID 6429125
Cyclopenta[1,2-c]isoquinolin-8(6h)-one
CID 129794487
1-(5-ethylidene-3,4-dihydro-2H-pyridin-6-yl)ethanone
CID 78409354
1-[4,6-Di(ethylidene)-5-methylidene-3,7,8,9-tetrahydrocyclohepta[c]pyridin-1-yl]-2-methylprop-2-en-1-one
CID 123218424
4-(2,3-Dihydropyridin-4-yl)cyclohex-3-en-1-one
CID 123402789
6-(cyclohexen-1-yl)-4,5-dihydro-2H-pyridin-3-one
CID 123763156
(6E)-5-methylidene-6-(6-methyliminocyclohexa-2,4-dien-1-ylidene)octan-2-one
CID 142308135
(6E)-5-methyl-6-(6-methyliminocyclohexa-2,4-dien-1-ylidene)octan-2-one
CID 142308331
6-[2-[(Z)-prop-1-enyl]cyclohexen-1-yl]-4,5-dihydro-3H-pyridin-2-one
CID 143658750
4-(3-Methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-3-en-1-one
CID 164752141
3-(3-Methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohex-2-en-1-one
CID 164753228

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one?
The IUPAC name of 5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one (CID 142308287) is 5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one.
What is the SMILES notation for 5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one?
The canonical SMILES for 5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one is C=C(CCC(C)=O)C1=c2ccccc2=NCC1.
What is the InChIKey of 5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one?
The InChIKey is NRYQWLCMBZPOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11(7-8-12(2)17)13-9-10-16-15-6-4-3-5-14(13)15/h3-6H,1,7-10H2,2H3.
What are the key properties of 5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one?
5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one has a molecular weight of 227.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroquinolin-4-yl)hex-5-en-2-one is sourced from PubChem (CID 142308287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).