[(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea

C15H11N3O3 — CID 6885749

IUPAC[(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1coc2ccc3ccccc3c2c1=O
InChIInChI=1S/C15H11N3O3/c16-15(20)18-17-7-10-8-21-12-6-5-9-3-1-2-4-11(9)13(12)14(10)19/h1-8H,(H3,16,18,20)/b17-7+
InChIKeyLVNIDNVYIDXALI-REZTVBANSA-N
MW281.27 g/mol
LogP1.95
Rot. Bonds2

About [(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea

[(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea (PubChem CID 6885749) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is [(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea
PubChem CID6885749
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name[(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1coc2ccc3ccccc3c2c1=O
InChIInChI=1S/C15H11N3O3/c16-15(20)18-17-7-10-8-21-12-6-5-9-3-1-2-4-11(9)13(12)14(10)19/h1-8H,(H3,16,18,20)/b17-7+
InChIKeyLVNIDNVYIDXALI-REZTVBANSA-N
XLogP1.95
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-Fluoro-benzoic acid (2-methoxy-naphthalen-1-ylmethylene)-hydrazide
CID 6907975
Nsc-205497
CID 135491081
(E)-2-((6-methyl-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarbothioamide
CID 6861459
[(E)-(4-oxobenzo[h]chromen-3-yl)methyleneamino]thiourea
CID 6878704
N'-[(2-methoxy-1-naphthyl)methylene]-3-methylbenzohydrazide
CID 5332347
N'-(4-ethoxybenzylidene)-3-methoxy-2-naphthohydrazide
CID 6871995
N'-[(2-methoxy-1-naphthyl)methylene]-4-methylbenzohydrazide
CID 9563336
N'-((2-Methoxy-1-naphthyl)methylene)benzohydrazide
CID 5718502
2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one
CID 6885738
2-methyl-N'-[(6-methyl-4-oxo-4H-chromen-3-yl)methylene]benzohydrazide
CID 25237145
1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea
CID 10946155
4-methoxy-N'-[(2-methoxy-1-naphthyl)methylene]benzohydrazide
CID 9562835

Frequently Asked Questions

What is the IUPAC name of [(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea?
The IUPAC name of [(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea (CID 6885749) is [(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea.
What is the SMILES notation for [(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea?
The canonical SMILES for [(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea is NC(=O)N/N=C/c1coc2ccc3ccccc3c2c1=O.
What is the InChIKey of [(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea?
The InChIKey is LVNIDNVYIDXALI-REZTVBANSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-15(20)18-17-7-10-8-21-12-6-5-9-3-1-2-4-11(9)13(12)14(10)19/h1-8H,(H3,16,18,20)/b17-7+.
What are the key properties of [(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea?
[(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea has a molecular weight of 281.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(1-oxobenzo[f]chromen-2-yl)methylideneamino]urea is sourced from PubChem (CID 6885749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).