4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one

C13H13NO2 — CID 142398582

IUPAC4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one
SMILESCC/C=C/c1c(O)c(=O)[nH]c2ccccc12
InChIInChI=1S/C13H13NO2/c1-2-3-6-10-9-7-4-5-8-11(9)14-13(16)12(10)15/h3-8,15H,2H2,1H3,(H,14,16)/b6-3+
InChIKeyNVGMQTRPGLYOOY-ZZXKWVIFSA-N
MW215.25 g/mol
LogP2.66
Rot. Bonds2

About 4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one

4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one (PubChem CID 142398582) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one
PubChem CID142398582
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one
SMILESCC/C=C/c1c(O)c(=O)[nH]c2ccccc12
InChIInChI=1S/C13H13NO2/c1-2-3-6-10-9-7-4-5-8-11(9)14-13(16)12(10)15/h3-8,15H,2H2,1H3,(H,14,16)/b6-3+
InChIKeyNVGMQTRPGLYOOY-ZZXKWVIFSA-N
XLogP2.66
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(Z)-but-1-enyl]-2-ethyl-1H-indole
CID 143650330
3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole
CID 102241290
3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole
CID 102241289
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755
3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one
CID 162395799
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide
CID 54704146
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)tridecanamide
CID 54678159
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
CID 54684096
(4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
CID 54725203
4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide
CID 54687081

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one?
The IUPAC name of 4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one (CID 142398582) is 4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one is CC/C=C/c1c(O)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one?
The InChIKey is NVGMQTRPGLYOOY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-3-6-10-9-7-4-5-8-11(9)14-13(16)12(10)15/h3-8,15H,2H2,1H3,(H,14,16)/b6-3+.
What are the key properties of 4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one?
4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 142398582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).