1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea

C13H14N2O3 — CID 18646331

IUPAC1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)C[C@@H]1C[C@H]1c1cc2ccccc2o1
InChIInChI=1S/C13H14N2O3/c14-13(16)15(17)7-9-5-10(9)12-6-8-3-1-2-4-11(8)18-12/h1-4,6,9-10,17H,5,7H2,(H2,14,16)/t9-,10+/m0/s1
InChIKeyVKQVAFMSCXHMDT-VHSXEESVSA-N
MW246.27 g/mol
LogP2.31
Rot. Bonds3

About 1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea

1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea (PubChem CID 18646331) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea
PubChem CID18646331
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)C[C@@H]1C[C@H]1c1cc2ccccc2o1
InChIInChI=1S/C13H14N2O3/c14-13(16)15(17)7-9-5-10(9)12-6-8-3-1-2-4-11(8)18-12/h1-4,6,9-10,17H,5,7H2,(H2,14,16)/t9-,10+/m0/s1
InChIKeyVKQVAFMSCXHMDT-VHSXEESVSA-N
XLogP2.31
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea
CID 19894244
1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea
CID 57051691
1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea
CID 19894152
1-hydroxy-1-[[2-[4-(1-phenylethoxy)phenyl]cyclopropyl]methyl]urea
CID 19894164
1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea
CID 57015699
3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine
CID 114733615
1-(1-benzofuran-2-ylmethyl)-1-hydroxy-3-methylurea;1-(1-benzofuran-2-ylmethyl)-1-hydroxyurea;urea
CID 157285283
4-[[2-(1-benzofuran-2-yl)cyclohexyl]methylamino]benzoic acid
CID 170986284
1-hydroxy-1-[[(1R,2R)-2-[3-(3-methylphenoxy)phenyl]cyclopropyl]methyl]urea
CID 22844514
N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine
CID 114735847
N-[[2-(furan-2-yl)cyclopropyl]methyl]-N-hydroxyacetamide
CID 19894128

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
The IUPAC name of 1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea (CID 18646331) is 1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
The canonical SMILES for 1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea is NC(=O)N(O)C[C@@H]1C[C@H]1c1cc2ccccc2o1.
What is the InChIKey of 1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
The InChIKey is VKQVAFMSCXHMDT-VHSXEESVSA-N. The full InChI is InChI=1S/C13H14N2O3/c14-13(16)15(17)7-9-5-10(9)12-6-8-3-1-2-4-11(8)18-12/h1-4,6,9-10,17H,5,7H2,(H2,14,16)/t9-,10+/m0/s1.
What are the key properties of 1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea has a molecular weight of 246.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea is sourced from PubChem (CID 18646331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).