1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea

C8H10N2O3 — CID 10797495

IUPAC1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea
SMILESNC(=O)N(O)C/C=C/c1ccoc1
InChIInChI=1S/C8H10N2O3/c9-8(11)10(12)4-1-2-7-3-5-13-6-7/h1-3,5-6,12H,4H2,(H2,9,11)/b2-1+
InChIKeyOSVNFJUYRSWWPT-OWOJBTEDSA-N
MW182.18 g/mol
LogP1.06
Rot. Bonds3

About 1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea

1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea (PubChem CID 10797495) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea
PubChem CID10797495
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea
SMILESNC(=O)N(O)C/C=C/c1ccoc1
InChIInChI=1S/C8H10N2O3/c9-8(11)10(12)4-1-2-7-3-5-13-6-7/h1-3,5-6,12H,4H2,(H2,9,11)/b2-1+
InChIKeyOSVNFJUYRSWWPT-OWOJBTEDSA-N
XLogP1.06
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea?
The IUPAC name of 1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea (CID 10797495) is 1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea.
What is the SMILES notation for 1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea?
The canonical SMILES for 1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea is NC(=O)N(O)C/C=C/c1ccoc1.
What is the InChIKey of 1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea?
The InChIKey is OSVNFJUYRSWWPT-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-8(11)10(12)4-1-2-7-3-5-13-6-7/h1-3,5-6,12H,4H2,(H2,9,11)/b2-1+.
What are the key properties of 1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea?
1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea has a molecular weight of 182.18 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(furan-3-yl)prop-2-enyl]-1-hydroxyurea is sourced from PubChem (CID 10797495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).