3-butyl-4-ethenylazetidin-2-one

C9H15NO — CID 13000011

IUPAC3-butyl-4-ethenylazetidin-2-one
SMILESC=CC1NC(=O)C1CCCC
InChIInChI=1S/C9H15NO/c1-3-5-6-7-8(4-2)10-9(7)11/h4,7-8H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyMGMLBIDJGPSWTO-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds4

About 3-butyl-4-ethenylazetidin-2-one

3-butyl-4-ethenylazetidin-2-one (PubChem CID 13000011) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-butyl-4-ethenylazetidin-2-one.

Molecular Properties

Compound Name3-butyl-4-ethenylazetidin-2-one
PubChem CID13000011
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-butyl-4-ethenylazetidin-2-one
SMILESC=CC1NC(=O)C1CCCC
InChIInChI=1S/C9H15NO/c1-3-5-6-7-8(4-2)10-9(7)11/h4,7-8H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyMGMLBIDJGPSWTO-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-7-[(2S,3R)-2-ethenyl-4-oxoazetidin-3-yl]hept-2-enoate
CID 177498761
(3S,4S)-3,4-bis(ethenyl)azetidin-2-one
CID 55298762
trans-(2S,3S)-2-pentyl-3-prop-2-enylcyclopentan-1-one
CID 134987535
cis-(2R,3S)-2-pentyl-3-prop-2-enylcyclopentan-1-one
CID 101144207
(5S)-5-butyl-2-sulfanylideneimidazolidin-4-one
CID 131856782
2-butyl-3-ethenylpiperazine
CID 123503735
CID 66970234
CID 66970234
(3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one
CID 138980136
(5R)-5-butylimidazolidine-2,4-dione
CID 51416195
(3R,4S)-3,4-dipropylazetidin-2-one
CID 102456687
(3R,4S)-3-ethyl-4-prop-2-enylsulfanylazetidin-2-one
CID 131227250
3-butyl-4-cyclohexylpyrrolidin-2-one
CID 174456342

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-ethenylazetidin-2-one?
The IUPAC name of 3-butyl-4-ethenylazetidin-2-one (CID 13000011) is 3-butyl-4-ethenylazetidin-2-one.
What is the SMILES notation for 3-butyl-4-ethenylazetidin-2-one?
The canonical SMILES for 3-butyl-4-ethenylazetidin-2-one is C=CC1NC(=O)C1CCCC.
What is the InChIKey of 3-butyl-4-ethenylazetidin-2-one?
The InChIKey is MGMLBIDJGPSWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-6-7-8(4-2)10-9(7)11/h4,7-8H,2-3,5-6H2,1H3,(H,10,11).
What are the key properties of 3-butyl-4-ethenylazetidin-2-one?
3-butyl-4-ethenylazetidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-ethenylazetidin-2-one is sourced from PubChem (CID 13000011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).