N'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide

C18H16N2O4 — CID 9414776

IUPACN'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1ccc2c(c1)OCCO2)NNC(=O)c1ccccc1
InChIInChI=1S/C18H16N2O4/c21-17(19-20-18(22)14-4-2-1-3-5-14)9-7-13-6-8-15-16(12-13)24-11-10-23-15/h1-9,12H,10-11H2,(H,19,21)(H,20,22)/b9-7+
InChIKeyAWBCVMPQHOQIFQ-VQHVLOKHSA-N
MW324.34 g/mol
LogP1.93
Rot. Bonds3

About N'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide

N'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide (PubChem CID 9414776) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide
PubChem CID9414776
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1ccc2c(c1)OCCO2)NNC(=O)c1ccccc1
InChIInChI=1S/C18H16N2O4/c21-17(19-20-18(22)14-4-2-1-3-5-14)9-7-13-6-8-15-16(12-13)24-11-10-23-15/h1-9,12H,10-11H2,(H,19,21)(H,20,22)/b9-7+
InChIKeyAWBCVMPQHOQIFQ-VQHVLOKHSA-N
XLogP1.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]benzohydrazide
CID 6140686
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoic acid;hydrochloride
CID 175105253
N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide
CID 38206239
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
CID 6909474
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4552324
N'-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide
CID 2469632
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 8936940
N'-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide
CID 35824588
N-cyclopropyl-4-[(E)-3-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzenesulfonamide
CID 55687381
3-chloro-N'-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]benzohydrazide
CID 9428053
N-cyclopropyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoylamino]benzamide
CID 75616751
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylprop-2-enamide
CID 732540

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide?
The IUPAC name of N'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide (CID 9414776) is N'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for N'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for N'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide is O=C(/C=C/c1ccc2c(c1)OCCO2)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide?
The InChIKey is AWBCVMPQHOQIFQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-17(19-20-18(22)14-4-2-1-3-5-14)9-7-13-6-8-15-16(12-13)24-11-10-23-15/h1-9,12H,10-11H2,(H,19,21)(H,20,22)/b9-7+.
What are the key properties of N'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide?
N'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide has a molecular weight of 324.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 9414776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).