1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea

C9H12N2O3 — CID 10726535

IUPAC1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea
SMILESCC(/C=C/c1ccco1)N(O)C(N)=O
InChIInChI=1S/C9H12N2O3/c1-7(11(13)9(10)12)4-5-8-3-2-6-14-8/h2-7,13H,1H3,(H2,10,12)/b5-4+
InChIKeyYQJQAHKVGNEMLM-SNAWJCMRSA-N
MW196.21 g/mol
LogP1.45
Rot. Bonds3

About 1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea

1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea (PubChem CID 10726535) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea
PubChem CID10726535
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea
SMILESCC(/C=C/c1ccco1)N(O)C(N)=O
InChIInChI=1S/C9H12N2O3/c1-7(11(13)9(10)12)4-5-8-3-2-6-14-8/h2-7,13H,1H3,(H2,10,12)/b5-4+
InChIKeyYQJQAHKVGNEMLM-SNAWJCMRSA-N
XLogP1.45
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 ≤ 51.45
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

(2R)-4-(furan-2-yl)but-3-en-2-ol
CID 131876668
1-hydroxy-1-[(E)-4-(2-sulfanylphenyl)but-3-en-2-yl]urea
CID 143466313
(E)-3-amino-5-(furan-2-yl)pent-4-enoic acid
CID 55255644
(E,2S)-2-ethyl-4-(furan-2-yl)but-3-enoic acid
CID 138963796
[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7860502
CID 59090942
CID 59090942
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6000305
[4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea
CID 5192993
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286
3-(furan-2-yl)prop-2-enoic acid
CID 159116571

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea?
The IUPAC name of 1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea (CID 10726535) is 1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea.
What is the SMILES notation for 1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea?
The canonical SMILES for 1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea is CC(/C=C/c1ccco1)N(O)C(N)=O.
What is the InChIKey of 1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea?
The InChIKey is YQJQAHKVGNEMLM-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-7(11(13)9(10)12)4-5-8-3-2-6-14-8/h2-7,13H,1H3,(H2,10,12)/b5-4+.
What are the key properties of 1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea?
1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea has a molecular weight of 196.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea is sourced from PubChem (CID 10726535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).