6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione

C15H25NO2 — CID 10988744

IUPAC6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione
SMILESC=CCCC1(CC(C)C)NC(=O)CC(C)(C)C1=O
InChIInChI=1S/C15H25NO2/c1-6-7-8-15(9-11(2)3)13(18)14(4,5)10-12(17)16-15/h6,11H,1,7-10H2,2-5H3,(H,16,17)
InChIKeyPIVHIWYRMWJBFR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.85
Rot. Bonds5

About 6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione

6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione (PubChem CID 10988744) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione.

Molecular Properties

Compound Name6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione
PubChem CID10988744
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione
SMILESC=CCCC1(CC(C)C)NC(=O)CC(C)(C)C1=O
InChIInChI=1S/C15H25NO2/c1-6-7-8-15(9-11(2)3)13(18)14(4,5)10-12(17)16-15/h6,11H,1,7-10H2,2-5H3,(H,16,17)
InChIKeyPIVHIWYRMWJBFR-UHFFFAOYSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-4-(3-methylbutyl)azetidin-2-one
CID 64666195
4-methyl-4-(2-methylpropyl)-1-azaspiro[4.5]decan-2-one
CID 165467434
sodium 5-but-3-enyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
CID 54606407
cis-(3S,4R)-3-but-3-enyl-3-methyl-4-propan-2-ylcyclopentan-1-one
CID 102312000
5-(2-methylpropyl)-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3032321
cis-(2R,3R)-2-but-3-enyl-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 11424115
5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one
CID 58238921
4-butan-2-yl-4,5,5-trimethylpyrrolidin-2-one
CID 66108493
1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate
CID 23461785
(4S)-4-but-3-enyl-4-methyl-1,3-dioxolan-2-one
CID 11829682
ethyl 2-but-3-enyl-5-oxopyrrolidine-2-carboxylate
CID 154676193
5-(2-methylpropyl)-5-propan-2-ylthiomorpholin-3-one
CID 58238927

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione?
The IUPAC name of 6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione (CID 10988744) is 6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione.
What is the SMILES notation for 6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione?
The canonical SMILES for 6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione is C=CCCC1(CC(C)C)NC(=O)CC(C)(C)C1=O.
What is the InChIKey of 6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione?
The InChIKey is PIVHIWYRMWJBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-7-8-15(9-11(2)3)13(18)14(4,5)10-12(17)16-15/h6,11H,1,7-10H2,2-5H3,(H,16,17).
What are the key properties of 6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione?
6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione has a molecular weight of 251.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-4,4-dimethyl-6-(2-methylpropyl)piperidine-2,5-dione is sourced from PubChem (CID 10988744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).