[(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea

C13H15N3O3 — CID 5413777

IUPAC[(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea
SMILESNC(=O)N/N=C(\c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C13H15N3O3/c14-13(17)16-15-12(8-1-2-8)9-3-4-10-11(7-9)19-6-5-18-10/h3-4,7-8H,1-2,5-6H2,(H3,14,16,17)/b15-12-
InChIKeyIVEVOIJHTQKILG-QINSGFPZSA-N
MW261.28 g/mol
LogP1.24
Rot. Bonds3

About [(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea

[(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea (PubChem CID 5413777) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is [(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea
PubChem CID5413777
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name[(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea
SMILESNC(=O)N/N=C(\c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C13H15N3O3/c14-13(17)16-15-12(8-1-2-8)9-3-4-10-11(7-9)19-6-5-18-10/h3-4,7-8H,1-2,5-6H2,(H3,14,16,17)/b15-12-
InChIKeyIVEVOIJHTQKILG-QINSGFPZSA-N
XLogP1.24
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea 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

cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 772237
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
(3-aminocyclopentyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116587227
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N'-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]oxamide
CID 9120866
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
CID 2890
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 47005588
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
cyclobutyl(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 43159932
N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604226
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoic acid
CID 116917934
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 151096244

Frequently Asked Questions

What is the IUPAC name of [(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea?
The IUPAC name of [(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea (CID 5413777) is [(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea.
What is the SMILES notation for [(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea?
The canonical SMILES for [(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea is NC(=O)N/N=C(\c1ccc2c(c1)OCCO2)C1CC1.
What is the InChIKey of [(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea?
The InChIKey is IVEVOIJHTQKILG-QINSGFPZSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-13(17)16-15-12(8-1-2-8)9-3-4-10-11(7-9)19-6-5-18-10/h3-4,7-8H,1-2,5-6H2,(H3,14,16,17)/b15-12-.
What are the key properties of [(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea?
[(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea has a molecular weight of 261.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea is sourced from PubChem (CID 5413777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).