[(E)-1-(furan-3-yl)ethylideneamino]urea

C7H9N3O2 — CID 122235604

IUPAC[(E)-1-(furan-3-yl)ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1ccoc1
InChIInChI=1S/C7H9N3O2/c1-5(9-10-7(8)11)6-2-3-12-4-6/h2-4H,1H3,(H3,8,10,11)/b9-5+
InChIKeyKGHRYSFUNPNFBA-WEVVVXLNSA-N
MW167.17 g/mol
LogP0.67
Rot. Bonds2

About [(E)-1-(furan-3-yl)ethylideneamino]urea

[(E)-1-(furan-3-yl)ethylideneamino]urea (PubChem CID 122235604) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is [(E)-1-(furan-3-yl)ethylideneamino]urea.

Molecular Properties

Compound Name[(E)-1-(furan-3-yl)ethylideneamino]urea
PubChem CID122235604
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name[(E)-1-(furan-3-yl)ethylideneamino]urea
SMILESC/C(=N\NC(N)=O)c1ccoc1
InChIInChI=1S/C7H9N3O2/c1-5(9-10-7(8)11)6-2-3-12-4-6/h2-4H,1H3,(H3,8,10,11)/b9-5+
InChIKeyKGHRYSFUNPNFBA-WEVVVXLNSA-N
XLogP0.67
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]benzoic acid
CID 155250087
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
[1-(4-tert-butylphenyl)ethylideneamino]urea
CID 5041387
[(E)-1-(4-chloro-3-pyrrol-1-ylphenyl)ethylideneamino]urea
CID 54598673
1-(furan-3-yl)-N-methylethanimine
CID 15892472
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
CID 6020603
[(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea
CID 121221771
ethane;1-(furan-3-yl)ethanone;methane
CID 145092753
[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(furan-3-yl)ethylideneamino]urea?
The IUPAC name of [(E)-1-(furan-3-yl)ethylideneamino]urea (CID 122235604) is [(E)-1-(furan-3-yl)ethylideneamino]urea.
What is the SMILES notation for [(E)-1-(furan-3-yl)ethylideneamino]urea?
The canonical SMILES for [(E)-1-(furan-3-yl)ethylideneamino]urea is C/C(=N\NC(N)=O)c1ccoc1.
What is the InChIKey of [(E)-1-(furan-3-yl)ethylideneamino]urea?
The InChIKey is KGHRYSFUNPNFBA-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-5(9-10-7(8)11)6-2-3-12-4-6/h2-4H,1H3,(H3,8,10,11)/b9-5+.
What are the key properties of [(E)-1-(furan-3-yl)ethylideneamino]urea?
[(E)-1-(furan-3-yl)ethylideneamino]urea has a molecular weight of 167.17 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(furan-3-yl)ethylideneamino]urea is sourced from PubChem (CID 122235604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).