1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea

C9H12N2O3 — CID 10774258

IUPAC1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea
SMILESCc1ccc(/C=C/CN(O)C(N)=O)o1
InChIInChI=1S/C9H12N2O3/c1-7-4-5-8(14-7)3-2-6-11(13)9(10)12/h2-5,13H,6H2,1H3,(H2,10,12)/b3-2+
InChIKeyIYXXVVRCYVZFNU-NSCUHMNNSA-N
MW196.21 g/mol
LogP1.37
Rot. Bonds3

About 1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea

1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea (PubChem CID 10774258) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea
PubChem CID10774258
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea
SMILESCc1ccc(/C=C/CN(O)C(N)=O)o1
InChIInChI=1S/C9H12N2O3/c1-7-4-5-8(14-7)3-2-6-11(13)9(10)12/h2-5,13H,6H2,1H3,(H2,10,12)/b3-2+
InChIKeyIYXXVVRCYVZFNU-NSCUHMNNSA-N
XLogP1.37
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.37
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'}

Analyze 1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]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

N-[3-(2-furyl)-1-methylprop-2-ynyl]-N-hydroxyurea
CID 10559708
N-[(2,5-dimethyl-3-furyl)methyl]-N-hydroxyurea
CID 10726150
N-hydroxy-N-[(2E)-3-(5-phenyl-2-furyl)prop-2-enyl]urea
CID 10563147
N-hydroxy-N-[(2E)-1-methyl-3-(5-methyl-2-furyl)prop-2-enyl]urea
CID 10656046
1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea
CID 10726535
N-hydroxy-N-[(5-methyl-2-furyl)methyl]urea
CID 10607231
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3-(5-methyl-2-furyl)acrylamide
CID 896656
N-[(2E)-3-(2-furyl)prop-2-enyl]-N-hydroxyurea
CID 10749931
1-[4-(Furan-2-yl)but-3-en-2-yl]-1-hydroxyurea
CID 49823923
(E)-N,N-dimethyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 42636811
(2E)-3-(Furan-2-yl)-N-methoxy-N-methylprop-2-enamide
CID 15141047
1-[2-(5-Fluorofuran-2-yl)ethyl]-1-hydroxyurea
CID 88522234

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea?
The IUPAC name of 1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea (CID 10774258) is 1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea.
What is the SMILES notation for 1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea?
The canonical SMILES for 1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea is Cc1ccc(/C=C/CN(O)C(N)=O)o1.
What is the InChIKey of 1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea?
The InChIKey is IYXXVVRCYVZFNU-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-7-4-5-8(14-7)3-2-6-11(13)9(10)12/h2-5,13H,6H2,1H3,(H2,10,12)/b3-2+.
What are the key properties of 1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea?
1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea has a molecular weight of 196.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]urea is sourced from PubChem (CID 10774258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).