5-prop-2-enoxy-2H-isoquinolin-1-one

C12H11NO2 — CID 43985645

IUPAC5-prop-2-enoxy-2H-isoquinolin-1-one
SMILESC=CCOc1cccc2c(=O)[nH]ccc12
InChIInChI=1S/C12H11NO2/c1-2-8-15-11-5-3-4-10-9(11)6-7-13-12(10)14/h2-7H,1,8H2,(H,13,14)
InChIKeyYMQQOEBGIOLTTN-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.09
Rot. Bonds3

About 5-prop-2-enoxy-2H-isoquinolin-1-one

5-prop-2-enoxy-2H-isoquinolin-1-one (PubChem CID 43985645) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5-prop-2-enoxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-prop-2-enoxy-2H-isoquinolin-1-one
PubChem CID43985645
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name5-prop-2-enoxy-2H-isoquinolin-1-one
SMILESC=CCOc1cccc2c(=O)[nH]ccc12
InChIInChI=1S/C12H11NO2/c1-2-8-15-11-5-3-4-10-9(11)6-7-13-12(10)14/h2-7H,1,8H2,(H,13,14)
InChIKeyYMQQOEBGIOLTTN-UHFFFAOYSA-N
XLogP2.09
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-prop-2-enoxy-2H-isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(4-methoxyphenyl)ethoxy]-2H-isoquinolin-1-one
CID 69345133
N-tert-butyl-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide
CID 43985442
2-[(1-oxo-2H-isoquinolin-5-yl)oxy]-N-(2-phenylethyl)acetamide
CID 43985426
5-amino-2H-isoquinolin-1-one
CID 2072
5-prop-2-enoxy-2-propylisoquinolin-1-one
CID 43985528
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
oxirane;1-prop-2-enoxynaphthalene
CID 174790954
5-fluoro-2H-isoquinolin-1-one
CID 22250167
2,3-bis(prop-2-enoxy)benzonitrile
CID 118571042
1-prop-2-enoxyanthracene
CID 141089148
5-prop-2-enoxynaphthalene-1,4-diol
CID 11148628
2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile
CID 82143634

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enoxy-2H-isoquinolin-1-one?
The IUPAC name of 5-prop-2-enoxy-2H-isoquinolin-1-one (CID 43985645) is 5-prop-2-enoxy-2H-isoquinolin-1-one.
What is the SMILES notation for 5-prop-2-enoxy-2H-isoquinolin-1-one?
The canonical SMILES for 5-prop-2-enoxy-2H-isoquinolin-1-one is C=CCOc1cccc2c(=O)[nH]ccc12.
What is the InChIKey of 5-prop-2-enoxy-2H-isoquinolin-1-one?
The InChIKey is YMQQOEBGIOLTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-8-15-11-5-3-4-10-9(11)6-7-13-12(10)14/h2-7H,1,8H2,(H,13,14).
What are the key properties of 5-prop-2-enoxy-2H-isoquinolin-1-one?
5-prop-2-enoxy-2H-isoquinolin-1-one has a molecular weight of 201.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enoxy-2H-isoquinolin-1-one is sourced from PubChem (CID 43985645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).