1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea

C12H11N3O2 — CID 6894875

IUPAC1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea
SMILESO=C(N/N=C/c1ccco1)Nc1ccccc1
InChIInChI=1S/C12H11N3O2/c16-12(14-10-5-2-1-3-6-10)15-13-9-11-7-4-8-17-11/h1-9H,(H2,14,15,16)/b13-9+
InChIKeyYRIUZBFPCBYSBJ-UKTHLTGXSA-N
MW229.24 g/mol
LogP2.44
Rot. Bonds3

About 1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea

1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea (PubChem CID 6894875) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea
PubChem CID6894875
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea
SMILESO=C(N/N=C/c1ccco1)Nc1ccccc1
InChIInChI=1S/C12H11N3O2/c16-12(14-10-5-2-1-3-6-10)15-13-9-11-7-4-8-17-11/h1-9H,(H2,14,15,16)/b13-9+
InChIKeyYRIUZBFPCBYSBJ-UKTHLTGXSA-N
XLogP2.44
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.44
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, 4-phenylthiosemicarbazone
CID 5717720
4-[2-(2-furylmethylene)hydrazino]-4-oxo-N-phenylbutanamide
CID 6871030
4-(2-(2-Furylmethylene)hydrazino)-N-(3-methylphenyl)-4-oxobutanamide
CID 9643503
N-(4-Bromophenyl)-4-(2-(2-furylmethylene)hydrazino)-4-oxobutanamide
CID 9595913
5-methyl-2-furaldehyde N-phenylsemicarbazone
CID 5332244
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-phenylthiourea
CID 6899329
Furfural phenylhydrazone
CID 6436740
2-Furaldehyde, 4-(m-chlorophenyl)semicarbazone
CID 6863825
2-Furaldehyde, 4-(p-methoxyphenyl)thiosemicarbazone
CID 9589536
2-Furaldehyde N-(3-methylphenyl)thiosemicarbazone
CID 5338339
N'-(2-furylmethylene)-2-hydroxy-4-quinolinecarbohydrazide
CID 5347023
1-(3-chlorophenyl)-3-[(Z)-furan-2-ylmethylideneamino]urea
CID 5396073

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea?
The IUPAC name of 1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea (CID 6894875) is 1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea is O=C(N/N=C/c1ccco1)Nc1ccccc1.
What is the InChIKey of 1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea?
The InChIKey is YRIUZBFPCBYSBJ-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(14-10-5-2-1-3-6-10)15-13-9-11-7-4-8-17-11/h1-9H,(H2,14,15,16)/b13-9+.
What are the key properties of 1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea?
1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea has a molecular weight of 229.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-furan-2-ylmethylideneamino]-3-phenylurea is sourced from PubChem (CID 6894875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).