9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C14H22N2O3 — CID 106409784

IUPAC9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESC=CCCOCCN1CC(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C14H22N2O3/c1-2-3-9-19-10-8-16-11-12(17)15-14(13(16)18)6-4-5-7-14/h2H,1,3-11H2,(H,15,17)
InChIKeyHTUPDOJKIQEVHN-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.85
Rot. Bonds6

About 9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 106409784) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID106409784
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESC=CCCOCCN1CC(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C14H22N2O3/c1-2-3-9-19-10-8-16-11-12(17)15-14(13(16)18)6-4-5-7-14/h2H,1,3-11H2,(H,15,17)
InChIKeyHTUPDOJKIQEVHN-UHFFFAOYSA-N
XLogP0.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione with MolForge

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Related Compounds

9-(2-butoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64878863
9-(3-ethoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64959195
4-(3-ethoxypropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64958546
4-(4-methoxybutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64967479
9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880199
4-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64879190
9-prop-2-ynyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64963783
4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64970002
9-(7-methyloctyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107818476
9-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64960256
4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 106733699
9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64879048

Frequently Asked Questions

What is the IUPAC name of 9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 106409784) is 9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is C=CCCOCCN1CC(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is HTUPDOJKIQEVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-3-9-19-10-8-16-11-12(17)15-14(13(16)18)6-4-5-7-14/h2H,1,3-11H2,(H,15,17).
What are the key properties of 9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 266.34 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-but-3-enoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 106409784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).