[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea

C12H13N3O2 — CID 8825924

IUPAC[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea
SMILESCCc1oc2ccccc2c1/C=N\NC(N)=O
InChIInChI=1S/C12H13N3O2/c1-2-10-9(7-14-15-12(13)16)8-5-3-4-6-11(8)17-10/h3-7H,2H2,1H3,(H3,13,15,16)/b14-7-
InChIKeyBTQNKJSQFBNYFI-AUWJEWJLSA-N
MW231.25 g/mol
LogP2.00
Rot. Bonds3

About [(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea

[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea (PubChem CID 8825924) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is [(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea
PubChem CID8825924
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea
SMILESCCc1oc2ccccc2c1/C=N\NC(N)=O
InChIInChI=1S/C12H13N3O2/c1-2-10-9(7-14-15-12(13)16)8-5-3-4-6-11(8)17-10/h3-7H,2H2,1H3,(H3,13,15,16)/b14-7-
InChIKeyBTQNKJSQFBNYFI-AUWJEWJLSA-N
XLogP2.00
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.00
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

(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinecarbothioamide
CID 5337698
[[5-(p-Tolyl)-2-furyl]methyleneamino]thiourea
CID 6882801
5-Phenyl-2-furaldehyde semicarbazone
CID 6862724
[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
CID 5344052
4-methyl-2-[(2E)-2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135520020
[[(Z)-(2-oxo-6,7,8,9-tetrahydrodibenzofuran-1-ylidene)methyl]amino]urea
CID 135648553
5-(2-Methoxyphenyl)-2-furaldehyde thiosemicarbazone
CID 10934672
methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6888698
({[5-(4-Fluorophenyl)furan-2-yl]methylidene}amino)urea
CID 9556621
2-((5-(3-Fluorophenyl)furan-2-yl)methylene)hydrazinecarboxamide (4d)
CID 126961623
(2E)-2-{[5-(4-methoxyphenyl)furan-2-yl]methylidene}hydrazinecarboxamide
CID 9556620
[(E)-(5-benzylfuran-2-yl)methylideneamino]thiourea
CID 168285252

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea?
The IUPAC name of [(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea (CID 8825924) is [(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea?
The canonical SMILES for [(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea is CCc1oc2ccccc2c1/C=N\NC(N)=O.
What is the InChIKey of [(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea?
The InChIKey is BTQNKJSQFBNYFI-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-10-9(7-14-15-12(13)16)8-5-3-4-6-11(8)17-10/h3-7H,2H2,1H3,(H3,13,15,16)/b14-7-.
What are the key properties of [(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea?
[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea has a molecular weight of 231.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]urea is sourced from PubChem (CID 8825924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).