1-hydroxy-2-prop-2-enylisoquinolin-3-one

C12H11NO2 — CID 57024926

IUPAC1-hydroxy-2-prop-2-enylisoquinolin-3-one
SMILESC=CCn1c(O)c2ccccc2cc1=O
InChIInChI=1S/C12H11NO2/c1-2-7-13-11(14)8-9-5-3-4-6-10(9)12(13)15/h2-6,8,15H,1,7H2
InChIKeyJCFMTZSNLXTRTD-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.89
Rot. Bonds2

About 1-hydroxy-2-prop-2-enylisoquinolin-3-one

1-hydroxy-2-prop-2-enylisoquinolin-3-one (PubChem CID 57024926) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-hydroxy-2-prop-2-enylisoquinolin-3-one.

Molecular Properties

Compound Name1-hydroxy-2-prop-2-enylisoquinolin-3-one
PubChem CID57024926
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-hydroxy-2-prop-2-enylisoquinolin-3-one
SMILESC=CCn1c(O)c2ccccc2cc1=O
InChIInChI=1S/C12H11NO2/c1-2-7-13-11(14)8-9-5-3-4-6-10(9)12(13)15/h2-6,8,15H,1,7H2
InChIKeyJCFMTZSNLXTRTD-UHFFFAOYSA-N
XLogP1.89
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-2-pentylisoquinolin-3-one
CID 90765326
1-hydroxy-2-(2-isocyanatoethyl)isoquinolin-3-one
CID 90776050
2-(1-hydroxy-3-oxoisoquinolin-2-yl)ethyl acetate
CID 54327845
2-[(2S)-2-amino-3,3-dimethylbutyl]-1-hydroxyisoquinolin-3-one
CID 91387642
6-hydroxy-1-prop-2-enylquinolin-2-one
CID 45117451
2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone
CID 15185493
2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 15185490
1-N,4-N-bis[(2-hydroxy-1-prop-2-enylindol-3-yl)imino]benzene-1,4-dicarboxamide
CID 1048805
3-chloroprop-1-ene;naphthalen-1-ol
CID 174471084
N-(2-chlorobenzoyl)imino-1,3-dihydroxy-2-prop-2-enylisoindole-5-carboxamide
CID 135574222
6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 19115657
1-methyl-3-prop-2-enyl-4-sulfanylidenequinazolin-2-one
CID 3031685

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-prop-2-enylisoquinolin-3-one?
The IUPAC name of 1-hydroxy-2-prop-2-enylisoquinolin-3-one (CID 57024926) is 1-hydroxy-2-prop-2-enylisoquinolin-3-one.
What is the SMILES notation for 1-hydroxy-2-prop-2-enylisoquinolin-3-one?
The canonical SMILES for 1-hydroxy-2-prop-2-enylisoquinolin-3-one is C=CCn1c(O)c2ccccc2cc1=O.
What is the InChIKey of 1-hydroxy-2-prop-2-enylisoquinolin-3-one?
The InChIKey is JCFMTZSNLXTRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-7-13-11(14)8-9-5-3-4-6-10(9)12(13)15/h2-6,8,15H,1,7H2.
What are the key properties of 1-hydroxy-2-prop-2-enylisoquinolin-3-one?
1-hydroxy-2-prop-2-enylisoquinolin-3-one has a molecular weight of 201.22 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-prop-2-enylisoquinolin-3-one is sourced from PubChem (CID 57024926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).