cyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone

C15H24N2O — CID 97370760

IUPACcyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(C1CC=CC1)N1CCC2(CCCNC2)CC1
InChIInChI=1S/C15H24N2O/c18-14(13-4-1-2-5-13)17-10-7-15(8-11-17)6-3-9-16-12-15/h1-2,13,16H,3-12H2
InChIKeyZPIZMSYAIUAXER-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.94
Rot. Bonds1

About cyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone

cyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 97370760) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is cyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID97370760
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Namecyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(C1CC=CC1)N1CCC2(CCCNC2)CC1
InChIInChI=1S/C15H24N2O/c18-14(13-4-1-2-5-13)17-10-7-15(8-11-17)6-3-9-16-12-15/h1-2,13,16H,3-12H2
InChIKeyZPIZMSYAIUAXER-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.94
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 cyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of cyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 97370760) is cyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for cyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for cyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone is O=C(C1CC=CC1)N1CCC2(CCCNC2)CC1.
What is the InChIKey of cyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is ZPIZMSYAIUAXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c18-14(13-4-1-2-5-13)17-10-7-15(8-11-17)6-3-9-16-12-15/h1-2,13,16H,3-12H2.
What are the key properties of cyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone?
cyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 248.37 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl(2,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 97370760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).