1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea

C13H16N2O4 — CID 19894244

IUPAC1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)CC1CC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H16N2O4/c14-13(16)15(17)7-9-5-10(9)8-1-2-11-12(6-8)19-4-3-18-11/h1-2,6,9-10,17H,3-5,7H2,(H2,14,16)
InChIKeyVWPZNHQDUSVDSV-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.33
Rot. Bonds3

About 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea

1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea (PubChem CID 19894244) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea
PubChem CID19894244
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)CC1CC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H16N2O4/c14-13(16)15(17)7-9-5-10(9)8-1-2-11-12(6-8)19-4-3-18-11/h1-2,6,9-10,17H,3-5,7H2,(H2,14,16)
InChIKeyVWPZNHQDUSVDSV-UHFFFAOYSA-N
XLogP1.33
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]urea
CID 15015094
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 43810303
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 39244283
1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea
CID 22844514
[2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 62709080
1-hydroxy-1-[[2-[4-(1-phenylethoxy)phenyl]cyclopropyl]methyl]urea
CID 19894164
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-amine
CID 81416353
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol
CID 81416194
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cycloheptane-1-carboxylic acid
CID 81008996
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119166419
trans-[3-(dimethylamino)phenyl]methyl (1S,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylate
CID 99811398
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 119520451

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea?
The IUPAC name of 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea (CID 19894244) is 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea?
The canonical SMILES for 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea is NC(=O)N(O)CC1CC1c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea?
The InChIKey is VWPZNHQDUSVDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-13(16)15(17)7-9-5-10(9)8-1-2-11-12(6-8)19-4-3-18-11/h1-2,6,9-10,17H,3-5,7H2,(H2,14,16).
What are the key properties of 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea?
1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea has a molecular weight of 264.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea is sourced from PubChem (CID 19894244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).