3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H28N2O3 — CID 70724677

IUPAC3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=CCCC(=O)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2
InChIInChI=1S/C17H28N2O3/c1-4-5-6-15(20)18-11-8-17(9-12-18)13-19(16(21)22-17)10-7-14(2)3/h4,14H,1,5-13H2,2-3H3
InChIKeyAYQDXIHTLDLUEB-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.81
Rot. Bonds6

About 3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70724677) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70724677
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=CCCC(=O)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2
InChIInChI=1S/C17H28N2O3/c1-4-5-6-15(20)18-11-8-17(9-12-18)13-19(16(21)22-17)10-7-14(2)3/h4,14H,1,5-13H2,2-3H3
InChIKeyAYQDXIHTLDLUEB-UHFFFAOYSA-N
XLogP2.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 4-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate
CID 168683868
Tert-butyl 4-[2-(2-oxo-3-prop-1-enylpyrrolidin-1-yl)ethyl]piperidine-1-carboxylate
CID 53962288
3-(2-Ethylbut-3-enoyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 126630265
tert-butyl N-methyl-N-[(1-pent-4-enoylpiperidin-4-yl)methyl]carbamate
CID 60250993
3-{2-[Cyclohexyl(methyl)amino]ethyl}-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70707763
3-(2-Ethylbutyl)-8-propionyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70713347
3-{3-[Cyclohexyl(methyl)amino]propyl}-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70732714
tert-butyl 4-[(2R)-2-(2-oxo-1,3-oxazolidine-3-carbonyl)pent-4-enyl]piperidine-1-carboxylate
CID 142916488
Tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168683488
tert-butyl (3R)-3-(4-ethenyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168683490
Tert-butyl 3-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate
CID 168683494
Tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate
CID 168683496

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70724677) is 3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=CCCC(=O)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2.
What is the InChIKey of 3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is AYQDXIHTLDLUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-4-5-6-15(20)18-11-8-17(9-12-18)13-19(16(21)22-17)10-7-14(2)3/h4,14H,1,5-13H2,2-3H3.
What are the key properties of 3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 308.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70724677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).