2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one

C13H14N2O — CID 103072838

IUPAC2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one
SMILESC=C(CN)Cn1ccc2ccccc2c1=O
InChIInChI=1S/C13H14N2O/c1-10(8-14)9-15-7-6-11-4-2-3-5-12(11)13(15)16/h2-7H,1,8-9,14H2
InChIKeyXNOGHDMNNAYHJL-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.52
Rot. Bonds3

About 2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one

2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one (PubChem CID 103072838) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one
PubChem CID103072838
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one
SMILESC=C(CN)Cn1ccc2ccccc2c1=O
InChIInChI=1S/C13H14N2O/c1-10(8-14)9-15-7-6-11-4-2-3-5-12(11)13(15)16/h2-7H,1,8-9,14H2
InChIKeyXNOGHDMNNAYHJL-UHFFFAOYSA-N
XLogP1.52
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(aminomethyl)prop-2-enyl]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

2-[2-(ethylaminomethyl)prop-2-enyl]isoquinolin-1-one
CID 103072839
2-[(2S)-3-amino-2-hydroxypropyl]isoquinolin-1-one
CID 124570339
2-[(2S)-2-aminopropyl]isoquinolin-1-one
CID 103934884
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]isoquinolin-1-one
CID 72886332
N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354354
1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one
CID 103072482
2-(2-aminobutyl)isoquinolin-1-one
CID 79015270
N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide
CID 22334244
ethyl 4-[2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetyl]piperazine-1-carboxylate
CID 46506023
N-(4-tert-butylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 2095659
2-[(4-fluorophenyl)methyl]isoquinolin-1-one
CID 9354445
N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354432

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one?
The IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one (CID 103072838) is 2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one.
What is the SMILES notation for 2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one?
The canonical SMILES for 2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one is C=C(CN)Cn1ccc2ccccc2c1=O.
What is the InChIKey of 2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one?
The InChIKey is XNOGHDMNNAYHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10(8-14)9-15-7-6-11-4-2-3-5-12(11)13(15)16/h2-7H,1,8-9,14H2.
What are the key properties of 2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one?
2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one has a molecular weight of 214.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)prop-2-enyl]isoquinolin-1-one is sourced from PubChem (CID 103072838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).