(E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide

C10H9N3O3 — CID 136602077

IUPAC(E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide
SMILES[H]/N=N/NC(=O)/C=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C10H9N3O3/c11-13-12-10(14)4-2-7-1-3-8-9(5-7)16-6-15-8/h1-5H,6H2,(H2,11,12,14)/b4-2+
InChIKeyHFLSNZQCNDHQME-DUXPYHPUSA-N
MW219.20 g/mol
LogP1.49
Rot. Bonds3

About (E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide

(E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide (PubChem CID 136602077) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is (E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide
PubChem CID136602077
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name(E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide
SMILES[H]/N=N/NC(=O)/C=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C10H9N3O3/c11-13-12-10(14)4-2-7-1-3-8-9(5-7)16-6-15-8/h1-5H,6H2,(H2,11,12,14)/b4-2+
InChIKeyHFLSNZQCNDHQME-DUXPYHPUSA-N
XLogP1.49
TPSA83.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide 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

(E)-3-(1,3-benzodioxol-5-yl)-N-[8-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]octyl]prop-2-enamide
CID 6306583
(E)-3-(1,3-benzodioxol-5-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]prop-2-enamide
CID 135949815
(Z)-3-(1,3-benzodioxol-5-yl)-N-methoxyprop-2-enamide
CID 94654403
(Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CID 5385558
(E)-3-(1,3-benzodioxol-5-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide
CID 107844888
(E)-3-(1,3-benzodioxol-5-yl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 2268652
(E)-3-(1,3-benzodioxol-5-yl)-N-cyclohexylprop-2-enamide
CID 692702
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-[2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethylamino]ethyl]prop-2-enamide;hydrate;hydrochloride
CID 70245016
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1-hydroxycyclobutyl)methyl]prop-2-enamide
CID 115643334
3-(1,3-benzodioxol-5-yl)-N-[3-(dimethylamino)propyl]prop-2-enamide
CID 2890519
(E)-3-(1,3-benzodioxol-5-yl)-N-octadecylprop-2-enamide
CID 10765688
(E)-3-(1,3-benzodioxol-5-yl)-N-[(E)-1-benzofuran-2-ylmethylideneamino]prop-2-enamide
CID 45109234

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide (CID 136602077) is (E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide is [H]/N=N/NC(=O)/C=C/c1ccc2c(c1)OCO2.
What is the InChIKey of (E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide?
The InChIKey is HFLSNZQCNDHQME-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-13-12-10(14)4-2-7-1-3-8-9(5-7)16-6-15-8/h1-5H,6H2,(H2,11,12,14)/b4-2+.
What are the key properties of (E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide?
(E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide has a molecular weight of 219.20 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzodioxol-5-yl)-N-diazenylprop-2-enamide is sourced from PubChem (CID 136602077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).