3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H22N2O2 — CID 64902390

IUPAC3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESC=CCN1C(=O)C(C)(C)NC(=O)C12CCCCC2
InChIInChI=1S/C14H22N2O2/c1-4-10-16-12(18)13(2,3)15-11(17)14(16)8-6-5-7-9-14/h4H,1,5-10H2,2-3H3,(H,15,17)
InChIKeyAVABKGLKCBHCKF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.61
Rot. Bonds2

About 3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione

3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64902390) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64902390
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESC=CCN1C(=O)C(C)(C)NC(=O)C12CCCCC2
InChIInChI=1S/C14H22N2O2/c1-4-10-16-12(18)13(2,3)15-11(17)14(16)8-6-5-7-9-14/h4H,1,5-10H2,2-3H3,(H,15,17)
InChIKeyAVABKGLKCBHCKF-UHFFFAOYSA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 82935243
14-[(E)-but-2-enyl]-6,14-diazadispiro[4.2.58.25]pentadecane-7,15-dione
CID 107898324
1-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64872407
6-(2-butoxyethyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64901049
8-cyclohexyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64878683
8-ethyl-8-methyl-6-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107902236
5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione
CID 59116103
15-prop-2-enyl-7,15-diazadispiro[5.1.58.36]hexadecane-14,16-dione
CID 71329902
15-(2-methylpropyl)-7,15-diazadispiro[4.2.58.25]pentadecane-6,14-dione
CID 64884969
3,3-diethyl-1-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887515
4-amino-1-prop-2-enyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967780
3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64886456

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64902390) is 3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione is C=CCN1C(=O)C(C)(C)NC(=O)C12CCCCC2.
What is the InChIKey of 3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is AVABKGLKCBHCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-10-16-12(18)13(2,3)15-11(17)14(16)8-6-5-7-9-14/h4H,1,5-10H2,2-3H3,(H,15,17).
What are the key properties of 3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-prop-2-enyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64902390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).