2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one

C12H20N2O — CID 45074292

IUPAC2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESC=CCN1CCCC2(CCNCC2)C1=O
InChIInChI=1S/C12H20N2O/c1-2-9-14-10-3-4-12(11(14)15)5-7-13-8-6-12/h2,13H,1,3-10H2
InChIKeyGFHNVTXPDIKACB-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.16
Rot. Bonds2

About 2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one

2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 45074292) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID45074292
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESC=CCN1CCCC2(CCNCC2)C1=O
InChIInChI=1S/C12H20N2O/c1-2-9-14-10-3-4-12(11(14)15)5-7-13-8-6-12/h2,13H,1,3-10H2
InChIKeyGFHNVTXPDIKACB-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one (CID 45074292) is 2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one is C=CCN1CCCC2(CCNCC2)C1=O.
What is the InChIKey of 2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is GFHNVTXPDIKACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-9-14-10-3-4-12(11(14)15)5-7-13-8-6-12/h2,13H,1,3-10H2.
What are the key properties of 2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one?
2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 208.30 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 45074292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).