[bis(prop-2-enyl)amino] benzoate

C13H15NO2 — CID 11715496

IUPAC[bis(prop-2-enyl)amino] benzoate
SMILESC=CCN(CC=C)OC(=O)c1ccccc1
InChIInChI=1S/C13H15NO2/c1-3-10-14(11-4-2)16-13(15)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeyYOJATWQKZIJCOY-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.43
Rot. Bonds6

About [bis(prop-2-enyl)amino] benzoate

[bis(prop-2-enyl)amino] benzoate (PubChem CID 11715496) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is [bis(prop-2-enyl)amino] benzoate.

Molecular Properties

Compound Name[bis(prop-2-enyl)amino] benzoate
PubChem CID11715496
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name[bis(prop-2-enyl)amino] benzoate
SMILESC=CCN(CC=C)OC(=O)c1ccccc1
InChIInChI=1S/C13H15NO2/c1-3-10-14(11-4-2)16-13(15)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeyYOJATWQKZIJCOY-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [bis(prop-2-enyl)amino] benzoate 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

benzoyl benzenecarboperoxoate;prop-2-en-1-amine
CID 88605356
formic acid;prop-2-enyl benzoate
CID 174813743
ethenyl benzoate
CID 158178912
chloro benzoate;prop-2-enoic acid
CID 174644875
(benzoyloxy-methyl-prop-2-enylsilyl) benzoate
CID 54168383
[acetyl(hex-5-en-2-yl)amino] benzoate
CID 100963835
CID 69279397
CID 69279397
benzoyl benzenecarboperoxoate;prop-1-ene
CID 163525367
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide
CID 84571475
N-phenylmethoxy-N-prop-2-enylbenzamide
CID 134847084
[3-benzoyloxy-1,4-dioxo-1,4-bis(prop-2-enylamino)butan-2-yl] benzoate
CID 18330840

Frequently Asked Questions

What is the IUPAC name of [bis(prop-2-enyl)amino] benzoate?
The IUPAC name of [bis(prop-2-enyl)amino] benzoate (CID 11715496) is [bis(prop-2-enyl)amino] benzoate.
What is the SMILES notation for [bis(prop-2-enyl)amino] benzoate?
The canonical SMILES for [bis(prop-2-enyl)amino] benzoate is C=CCN(CC=C)OC(=O)c1ccccc1.
What is the InChIKey of [bis(prop-2-enyl)amino] benzoate?
The InChIKey is YOJATWQKZIJCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-10-14(11-4-2)16-13(15)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2.
What are the key properties of [bis(prop-2-enyl)amino] benzoate?
[bis(prop-2-enyl)amino] benzoate has a molecular weight of 217.27 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(prop-2-enyl)amino] benzoate is sourced from PubChem (CID 11715496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).