N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide

C21H19N3O4 — CID 60583657

IUPACN'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide
SMILESC=CCn1cc(C(=O)NNC(=O)C2COc3ccccc3O2)c2ccccc21
InChIInChI=1S/C21H19N3O4/c1-2-11-24-12-15(14-7-3-4-8-16(14)24)20(25)22-23-21(26)19-13-27-17-9-5-6-10-18(17)28-19/h2-10,12,19H,1,11,13H2,(H,22,25)(H,23,26)
InChIKeyNXJUVHYNNYWOEU-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.43
Rot. Bonds4

About N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide

N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide (PubChem CID 60583657) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide
PubChem CID60583657
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide
SMILESC=CCn1cc(C(=O)NNC(=O)C2COc3ccccc3O2)c2ccccc21
InChIInChI=1S/C21H19N3O4/c1-2-11-24-12-15(14-7-3-4-8-16(14)24)20(25)22-23-21(26)19-13-27-17-9-5-6-10-18(17)28-19/h2-10,12,19H,1,11,13H2,(H,22,25)(H,23,26)
InChIKeyNXJUVHYNNYWOEU-UHFFFAOYSA-N
XLogP2.43
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7000193
(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
N'-(3-hydroxynaphthalene-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 43016628
(3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2426915
N'-(4-ethylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 42889119
3-[(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 43002166
(3R)-N'-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 29446706
N'-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-2-ethoxypyridine-3-carbohydrazide
CID 7936972
N'-(2-cyclohexylideneacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 60574660
potassium N-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)carbamodithioate
CID 23710046
(3R)-N'-(2-ethylbutanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 51968519
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanoic acid
CID 170887001

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide (CID 60583657) is N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide is C=CCn1cc(C(=O)NNC(=O)C2COc3ccccc3O2)c2ccccc21.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide?
The InChIKey is NXJUVHYNNYWOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-2-11-24-12-15(14-7-3-4-8-16(14)24)20(25)22-23-21(26)19-13-27-17-9-5-6-10-18(17)28-19/h2-10,12,19H,1,11,13H2,(H,22,25)(H,23,26).
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide?
N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide has a molecular weight of 377.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-prop-2-enylindole-3-carbohydrazide is sourced from PubChem (CID 60583657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).