[(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea

C7H15N3O2 — CID 122235607

IUPAC[(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea
SMILESCOC(C)(C)/C(C)=N/NC(N)=O
InChIInChI=1S/C7H15N3O2/c1-5(7(2,3)12-4)9-10-6(8)11/h1-4H3,(H3,8,10,11)/b9-5+
InChIKeyFFGLDQKSIVMQIB-WEVVVXLNSA-N
MW173.22 g/mol
LogP0.46
Rot. Bonds3

About [(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea

[(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea (PubChem CID 122235607) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is [(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea.

Molecular Properties

Compound Name[(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea
PubChem CID122235607
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name[(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea
SMILESCOC(C)(C)/C(C)=N/NC(N)=O
InChIInChI=1S/C7H15N3O2/c1-5(7(2,3)12-4)9-10-6(8)11/h1-4H3,(H3,8,10,11)/b9-5+
InChIKeyFFGLDQKSIVMQIB-WEVVVXLNSA-N
XLogP0.46
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.46
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

(1-aminoethylideneamino)urea
CID 85436939
(propan-2-ylideneamino)urea;sulfane;urea
CID 174867107
[(E)-(3,3-dimethyl-4-oxo-4-phenylbutan-2-ylidene)amino]urea
CID 12654611
2-hydroxy-2-methoxypropanamide
CID 57235393
(2Z)-2-(carbamoylhydrazinylidene)propanoic acid
CID 5484325
(diaminomethylideneamino)urea;hydrochloride
CID 87522234
[(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea
CID 6158288
(3-hydroxyiminobutan-2-ylideneamino)urea
CID 137209965
(1E)-N-(carbamoylamino)ethanimidoyl cyanide
CID 55281069
[1-(4-tert-butylphenyl)ethylideneamino]urea
CID 5041387
methyl (2E,3E)-3-(carbamoylhydrazinylidene)-2-(nitromethylidene)butanoate
CID 15422151
ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate
CID 5385390

Frequently Asked Questions

What is the IUPAC name of [(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea?
The IUPAC name of [(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea (CID 122235607) is [(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea.
What is the SMILES notation for [(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea?
The canonical SMILES for [(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea is COC(C)(C)/C(C)=N/NC(N)=O.
What is the InChIKey of [(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea?
The InChIKey is FFGLDQKSIVMQIB-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-5(7(2,3)12-4)9-10-6(8)11/h1-4H3,(H3,8,10,11)/b9-5+.
What are the key properties of [(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea?
[(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea has a molecular weight of 173.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3-methoxy-3-methylbutan-2-ylidene)amino]urea is sourced from PubChem (CID 122235607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).