4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one

C12H10N2O4 — CID 110273112

IUPAC4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one
SMILESC/C(=C/c1c(O)c2ccccc2[nH]c1=O)[N+](=O)[O-]
InChIInChI=1S/C12H10N2O4/c1-7(14(17)18)6-9-11(15)8-4-2-3-5-10(8)13-12(9)16/h2-6H,1H3,(H2,13,15,16)/b7-6-
InChIKeyPCMIFTITIZWCFY-SREVYHEPSA-N
MW246.22 g/mol
LogP1.87
Rot. Bonds2

About 4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one

4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one (PubChem CID 110273112) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one
PubChem CID110273112
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one
SMILESC/C(=C/c1c(O)c2ccccc2[nH]c1=O)[N+](=O)[O-]
InChIInChI=1S/C12H10N2O4/c1-7(14(17)18)6-9-11(15)8-4-2-3-5-10(8)13-12(9)16/h2-6H,1H3,(H2,13,15,16)/b7-6-
InChIKeyPCMIFTITIZWCFY-SREVYHEPSA-N
XLogP1.87
TPSA96.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[(E)-2-nitroprop-1-enyl]-1H-indole
CID 10353261
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755
2-(2-nitroprop-1-enyl)-1H-indole
CID 140830257
4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
CID 54684096
2-nitroprop-1-enylbenzene
CID 12807
4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one
CID 54705774
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one
CID 142398582
6-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-(3-hydroxyphenyl)-2,4-dioxohex-5-enamide
CID 54704033
4-hydroxy-3-[(4-hydroxy-2-oxo-1H-quinolin-3-yl)-(3-nitrophenyl)methyl]-1H-quinolin-2-one
CID 54704875
CID 131863122
CID 131863122
(1E)-1-[(4-hydroxy-2-oxo-1H-quinolin-3-yl)methylidene]-3-(4-sulfamoylphenyl)thiourea
CID 135409072

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one (CID 110273112) is 4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one is C/C(=C/c1c(O)c2ccccc2[nH]c1=O)[N+](=O)[O-].
What is the InChIKey of 4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one?
The InChIKey is PCMIFTITIZWCFY-SREVYHEPSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-7(14(17)18)6-9-11(15)8-4-2-3-5-10(8)13-12(9)16/h2-6H,1H3,(H2,13,15,16)/b7-6-.
What are the key properties of 4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one?
4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one has a molecular weight of 246.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(Z)-2-nitroprop-1-enyl]-1H-quinolin-2-one is sourced from PubChem (CID 110273112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).