(6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium

C11H12NO2+ — CID 143863591

IUPAC(6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium
SMILESC=CC1=CC2C([OH2+])=CC(=O)NC2C=C1
InChIInChI=1S/C11H11NO2/c1-2-7-3-4-9-8(5-7)10(13)6-11(14)12-9/h2-6,8-9,13H,1H2,(H,12,14)/p+1
InChIKeyNZLUMHPLPKJVPO-UHFFFAOYSA-O
MW190.22 g/mol
LogP0.39
Rot. Bonds1

About (6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium

(6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium (PubChem CID 143863591) has the molecular formula C11H12NO2+ and a molecular weight of 190.22 g/mol. Its IUPAC name is (6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium.

Molecular Properties

Compound Name(6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium
PubChem CID143863591
Molecular FormulaC11H12NO2+
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name(6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium
SMILESC=CC1=CC2C([OH2+])=CC(=O)NC2C=C1
InChIInChI=1S/C11H11NO2/c1-2-7-3-4-9-8(5-7)10(13)6-11(14)12-9/h2-6,8-9,13H,1H2,(H,12,14)/p+1
InChIKeyNZLUMHPLPKJVPO-UHFFFAOYSA-O
XLogP0.39
TPSA52.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-4-azatricyclo[9.4.0.03,8]pentadeca-1,6,8,10,12,14-hexaen-5-one
CID 57165080
4-hydroxy-3-methyl-6-(trioxidanylsulfanyl)-4a,8a-dihydro-1H-quinolin-2-one
CID 57573628
4-hydroxy-2,3-dimethyl-2,3-dihydro-1H-pyridin-6-one
CID 59936977
N-(4-acetyl-5-hydroxycyclohexa-2,4-dien-1-yl)acetamide
CID 141931044
4-hydroxy-6-methyl-4a,8a-dihydro-1H-quinolin-2-one
CID 143863556
8-hydroxy-4a,8a-dihydro-1H-quinolin-2-one
CID 10953852
4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one
CID 142207957
6-ethenyl-4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one
CID 143863592
6-tert-butyl-4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one
CID 148352631

Frequently Asked Questions

What is the IUPAC name of (6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium?
The IUPAC name of (6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium (CID 143863591) is (6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium.
What is the SMILES notation for (6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium?
The canonical SMILES for (6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium is C=CC1=CC2C([OH2+])=CC(=O)NC2C=C1.
What is the InChIKey of (6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium?
The InChIKey is NZLUMHPLPKJVPO-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H11NO2/c1-2-7-3-4-9-8(5-7)10(13)6-11(14)12-9/h2-6,8-9,13H,1H2,(H,12,14)/p+1.
What are the key properties of (6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium?
(6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium has a molecular weight of 190.22 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium is sourced from PubChem (CID 143863591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).