[(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea

C12H21N3O2 — CID 121000903

IUPAC[(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea
SMILESCC1(C)C/C(=N/NC(N)=O)C2(CCCCC2)O1
InChIInChI=1S/C12H21N3O2/c1-11(2)8-9(14-15-10(13)16)12(17-11)6-4-3-5-7-12/h3-8H2,1-2H3,(H3,13,15,16)/b14-9-
InChIKeyVFFOZXPYUXCGRE-ZROIWOOFSA-N
MW239.32 g/mol
LogP1.91
Rot. Bonds1

About [(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea

[(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea (PubChem CID 121000903) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea.

Molecular Properties

Compound Name[(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea
PubChem CID121000903
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea
SMILESCC1(C)C/C(=N/NC(N)=O)C2(CCCCC2)O1
InChIInChI=1S/C12H21N3O2/c1-11(2)8-9(14-15-10(13)16)12(17-11)6-4-3-5-7-12/h3-8H2,1-2H3,(H3,13,15,16)/b14-9-
InChIKeyVFFOZXPYUXCGRE-ZROIWOOFSA-N
XLogP1.91
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.91
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

[(Z)-[(2S)-2-benzyl-2-methylcyclohexylidene]amino]urea
CID 92526860
[(2,2-dimethylcyclopentylidene)amino]thiourea
CID 79863322
[(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea
CID 98298557
[(E)-(5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene)amino]urea
CID 90482012
[[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea
CID 6934624
[(E)-(3,3,5-trimethylcyclohexylidene)amino]urea
CID 6181691
[(7-methoxy-2,2,8-trimethyl-3H-chromen-4-ylidene)amino]urea
CID 56982175
[(E)-[(2R,5R)-2-(2-cyanoethyl)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]amino]urea
CID 5384338
ethyl (1S,2Z)-1-butyl-2-(carbamoylhydrazinylidene)cyclopentane-1-carboxylate
CID 40535436
ethyl (1R,2Z)-1-butyl-2-(carbamoylhydrazinylidene)cyclopentane-1-carboxylate
CID 40535466
[(3,6,6-trimethylcyclohepta-2,4-dien-1-ylidene)amino]urea
CID 162854462
[(Z)-(2,6,6-trimethylcyclohepta-2,4-dien-1-ylidene)amino]urea
CID 6045203

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea?
The IUPAC name of [(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea (CID 121000903) is [(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea.
What is the SMILES notation for [(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea?
The canonical SMILES for [(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea is CC1(C)C/C(=N/NC(N)=O)C2(CCCCC2)O1.
What is the InChIKey of [(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea?
The InChIKey is VFFOZXPYUXCGRE-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-11(2)8-9(14-15-10(13)16)12(17-11)6-4-3-5-7-12/h3-8H2,1-2H3,(H3,13,15,16)/b14-9-.
What are the key properties of [(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea?
[(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea has a molecular weight of 239.32 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2,2-dimethyl-1-oxaspiro[4.5]decan-4-ylidene)amino]urea is sourced from PubChem (CID 121000903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).