ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H30N2O2 — CID 144971257

IUPACethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=C.C=C/C(=C\C)CCN1CCC2(CC1)CNC(=O)C(C)O2
InChIInChI=1S/C16H26N2O2.C2H4/c1-4-14(5-2)6-9-18-10-7-16(8-11-18)12-17-15(19)13(3)20-16;1-2/h4-5,13H,1,6-12H2,2-3H3,(H,17,19);1-2H2/b14-5+;
InChIKeyJQKKDCRTGBTUHO-OCSIRBNJSA-N
MW306.45 g/mol
LogP2.68
Rot. Bonds4

About ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 144971257) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Nameethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID144971257
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nameethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=C.C=C/C(=C\C)CCN1CCC2(CC1)CNC(=O)C(C)O2
InChIInChI=1S/C16H26N2O2.C2H4/c1-4-14(5-2)6-9-18-10-7-16(8-11-18)12-17-15(19)13(3)20-16;1-2/h4-5,13H,1,6-12H2,2-3H3,(H,17,19);1-2H2/b14-5+;
InChIKeyJQKKDCRTGBTUHO-OCSIRBNJSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

Cyclopent-3-en-1-yl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97372312
2-ethyl-9-[(3Z)-3-(1-fluoroethenyl)hexa-3,5-dienyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971324
9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-[(3E)-3-fluoro-2-iminohexa-3,5-dienyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155632219
ethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one
CID 143791717
9-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971290
4-but-3-enyl-9-[(Z)-3-ethenylpent-3-enyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene
CID 144971300
9-[(3Z)-3-ethenylhexa-3,5-dienyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971327
butane;9-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 144971329
2-butyl-9-[(Z)-3-ethenylpent-3-enyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;ethene
CID 144971331
2-ethyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine
CID 153344594
4-cyclopropyl-9-[(Z)-4-hydroxy-3-methylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-ethylpent-4-en-1-amine
CID 153344596
(2E,4Z)-5-[2-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-2-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]hepta-2,4,6-trienenitrile
CID 155239718

Frequently Asked Questions

What is the IUPAC name of ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 144971257) is ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C=C.C=C/C(=C\C)CCN1CCC2(CC1)CNC(=O)C(C)O2.
What is the InChIKey of ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JQKKDCRTGBTUHO-OCSIRBNJSA-N. The full InChI is InChI=1S/C16H26N2O2.C2H4/c1-4-14(5-2)6-9-18-10-7-16(8-11-18)12-17-15(19)13(3)20-16;1-2/h4-5,13H,1,6-12H2,2-3H3,(H,17,19);1-2H2/b14-5+;.
What are the key properties of ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 306.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;9-[(Z)-3-ethenylpent-3-enyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 144971257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).