[1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea

C11H10N4O4 — CID 91167256

IUPAC[1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea
SMILESCC(=NNC(N)=O)c1ccc2oc(=O)[nH]c(=O)c2c1
InChIInChI=1S/C11H10N4O4/c1-5(14-15-10(12)17)6-2-3-8-7(4-6)9(16)13-11(18)19-8/h2-4H,1H3,(H3,12,15,17)(H,13,16,18)
InChIKeyIHZVBJPUFFDEIF-UHFFFAOYSA-N
MW262.23 g/mol
LogP-0.13
Rot. Bonds2

About [1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea

[1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea (PubChem CID 91167256) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is [1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea.

Molecular Properties

Compound Name[1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea
PubChem CID91167256
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name[1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea
SMILESCC(=NNC(N)=O)c1ccc2oc(=O)[nH]c(=O)c2c1
InChIInChI=1S/C11H10N4O4/c1-5(14-15-10(12)17)6-2-3-8-7(4-6)9(16)13-11(18)19-8/h2-4H,1H3,(H3,12,15,17)(H,13,16,18)
InChIKeyIHZVBJPUFFDEIF-UHFFFAOYSA-N
XLogP-0.13
TPSA130.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-methyl-1-[(Z)-1-[8-[(E)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzofuran-2-yl]ethylideneamino]guanidine
CID 92529079
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
4-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]benzoic acid
CID 155250087
[(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea
CID 165411735
6-tert-butyl-1,3-benzoxazine-2,4-dione
CID 59410453
[1-(4-tert-butylphenyl)ethylideneamino]urea
CID 5041387
6-methylsulfanyl-1,3-benzoxazine-2,4-dione
CID 70015927
[(E)-1-(furan-3-yl)ethylideneamino]urea
CID 122235604
N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
CID 6020603
[1-(4-hydroxy-2-oxochromen-3-yl)ethylideneamino]urea
CID 135444488
[(Z)-1-(4-hydroxy-2-oxochromen-3-yl)ethylideneamino]urea
CID 136884261
(2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate
CID 165352900

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea?
The IUPAC name of [1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea (CID 91167256) is [1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea.
What is the SMILES notation for [1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea?
The canonical SMILES for [1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea is CC(=NNC(N)=O)c1ccc2oc(=O)[nH]c(=O)c2c1.
What is the InChIKey of [1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea?
The InChIKey is IHZVBJPUFFDEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c1-5(14-15-10(12)17)6-2-3-8-7(4-6)9(16)13-11(18)19-8/h2-4H,1H3,(H3,12,15,17)(H,13,16,18).
What are the key properties of [1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea?
[1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea has a molecular weight of 262.23 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dioxo-1,3-benzoxazin-6-yl)ethylideneamino]urea is sourced from PubChem (CID 91167256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).