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

C14H23ClN2O2 — CID 118741570

IUPACcyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;hydrochloride
SMILESCl.O=C(C1CC=CC1)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C14H22N2O2.ClH/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;1H
InChIKeyCZJFMDLTTUUQPZ-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.36
Rot. Bonds1

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

cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;hydrochloride (PubChem CID 118741570) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;hydrochloride.

Molecular Properties

Compound Namecyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;hydrochloride
PubChem CID118741570
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Namecyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;hydrochloride
SMILESCl.O=C(C1CC=CC1)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C14H22N2O2.ClH/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;1H
InChIKeyCZJFMDLTTUUQPZ-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;hydrochloride?
The IUPAC name of cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;hydrochloride (CID 118741570) is cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;hydrochloride.
What is the SMILES notation for cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;hydrochloride?
The canonical SMILES for cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;hydrochloride is Cl.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;hydrochloride?
The InChIKey is CZJFMDLTTUUQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/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;1H.
What are the key properties of cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;hydrochloride?
cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.36, 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;hydrochloride is sourced from PubChem (CID 118741570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).