cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

C14H22N2O2 — CID 97372312

IUPACcyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(C1CC=CC1)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C14H22N2O2/c17-13(12-3-1-2-4-12)16-8-5-14(6-9-16)11-15-7-10-18-14/h1-2,12,15H,3-11H2
InChIKeyODNXOHAMLPMWRF-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.93
Rot. Bonds1

About cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 97372312) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID97372312
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namecyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(C1CC=CC1)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C14H22N2O2/c17-13(12-3-1-2-4-12)16-8-5-14(6-9-16)11-15-7-10-18-14/h1-2,12,15H,3-11H2
InChIKeyODNXOHAMLPMWRF-UHFFFAOYSA-N
XLogP0.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 97372312) is cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is O=C(C1CC=CC1)N1CCC2(CC1)CNCCO2.
What is the InChIKey of cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is ODNXOHAMLPMWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-13(12-3-1-2-4-12)16-8-5-14(6-9-16)11-15-7-10-18-14/h1-2,12,15H,3-11H2.
What are the key properties of cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 250.34 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 97372312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).