1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea

C11H12N2O3 — CID 57051691

IUPAC1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea
SMILESNC(=O)N(O)CCc1cc2ccccc2o1
InChIInChI=1S/C11H12N2O3/c12-11(14)13(15)6-5-9-7-8-3-1-2-4-10(8)16-9/h1-4,7,15H,5-6H2,(H2,12,14)
InChIKeyLKRKXBQWDIWAGB-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.75
Rot. Bonds3

About 1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea

1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea (PubChem CID 57051691) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea
PubChem CID57051691
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea
SMILESNC(=O)N(O)CCc1cc2ccccc2o1
InChIInChI=1S/C11H12N2O3/c12-11(14)13(15)6-5-9-7-8-3-1-2-4-10(8)16-9/h1-4,7,15H,5-6H2,(H2,12,14)
InChIKeyLKRKXBQWDIWAGB-UHFFFAOYSA-N
XLogP1.75
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.75
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-(1-benzofuran-2-ylmethyl)-1-hydroxy-3-methylurea;1-(1-benzofuran-2-ylmethyl)-1-hydroxyurea;urea
CID 157285283
N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide
CID 120885666
1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea
CID 18646331
1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine
CID 114733291
CID 156725408
CID 156725408
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide
CID 110732893
N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 80660638
4-(1-benzofuran-2-yl)butane-1,2-diol
CID 102166190
2-(1-benzofuran-2-yl)ethyl 4-tert-butylbenzoate
CID 23992796
2-[2-(1-benzofuran-2-yl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111818088

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea (CID 57051691) is 1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea is NC(=O)N(O)CCc1cc2ccccc2o1.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea?
The InChIKey is LKRKXBQWDIWAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-11(14)13(15)6-5-9-7-8-3-1-2-4-10(8)16-9/h1-4,7,15H,5-6H2,(H2,12,14).
What are the key properties of 1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea?
1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea has a molecular weight of 220.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea is sourced from PubChem (CID 57051691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).