1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea

C13H13N3O2 — CID 5332244

IUPAC1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea
SMILESCc1ccc(/C=N/NC(=O)Nc2ccccc2)o1
InChIInChI=1S/C13H13N3O2/c1-10-7-8-12(18-10)9-14-16-13(17)15-11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,16,17)/b14-9+
InChIKeyHIUYOTJWHQLEML-NTEUORMPSA-N
MW243.27 g/mol
LogP2.74
Rot. Bonds3

About 1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea

1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea (PubChem CID 5332244) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea
PubChem CID5332244
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea
SMILESCc1ccc(/C=N/NC(=O)Nc2ccccc2)o1
InChIInChI=1S/C13H13N3O2/c1-10-7-8-12(18-10)9-14-16-13(17)15-11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,16,17)/b14-9+
InChIKeyHIUYOTJWHQLEML-NTEUORMPSA-N
XLogP2.74
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.74
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

2-Furaldehyde N-phenylsemicarbazone
CID 6894875
2-Furaldehyde, 4-phenylthiosemicarbazone
CID 5717720
4-[2-(2-furylmethylene)hydrazino]-4-oxo-N-phenylbutanamide
CID 6871030
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-phenylthiourea
CID 6899329
N-(3-{N'-[(E)-(5-Methylfuran-2-YL)methylidene]hydrazinecarbonyl}phenyl)acetamide
CID 9615951
2-Furaldehyde, 4-(m-chlorophenyl)semicarbazone
CID 6863825
2-Furaldehyde, 4-(p-methoxyphenyl)thiosemicarbazone
CID 9589536
2-Furaldehyde N-(3-methylphenyl)thiosemicarbazone
CID 5338339
1-(3-chlorophenyl)-3-[(Z)-furan-2-ylmethylideneamino]urea
CID 5396073
1-(2-fluorophenyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea
CID 6903908
1-(2,6-dimethylphenyl)-3-[(E)-furan-2-ylmethylideneamino]urea
CID 11615835
1-[(E)-(5-bromofuran-2-yl)methylideneamino]-3-(2,6-dimethylphenyl)urea
CID 77105073

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea?
The IUPAC name of 1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea (CID 5332244) is 1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea is Cc1ccc(/C=N/NC(=O)Nc2ccccc2)o1.
What is the InChIKey of 1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea?
The InChIKey is HIUYOTJWHQLEML-NTEUORMPSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-10-7-8-12(18-10)9-14-16-13(17)15-11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,16,17)/b14-9+.
What are the key properties of 1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea?
1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea has a molecular weight of 243.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-phenylurea is sourced from PubChem (CID 5332244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).