(3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one

C11H17NO — CID 138980136

IUPAC(3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one
SMILESC=CCC[C@@H]1NC(=O)[C@@H]1CCC=C
InChIInChI=1S/C11H17NO/c1-3-5-7-9-10(8-6-4-2)12-11(9)13/h3-4,9-10H,1-2,5-8H2,(H,12,13)/t9-,10+/m1/s1
InChIKeyHJTDQYKLXWLKOJ-ZJUUUORDSA-N
MW179.26 g/mol
LogP2.03
Rot. Bonds6

About (3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one

(3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one (PubChem CID 138980136) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one
PubChem CID138980136
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one
SMILESC=CCC[C@@H]1NC(=O)[C@@H]1CCC=C
InChIInChI=1S/C11H17NO/c1-3-5-7-9-10(8-6-4-2)12-11(9)13/h3-4,9-10H,1-2,5-8H2,(H,12,13)/t9-,10+/m1/s1
InChIKeyHJTDQYKLXWLKOJ-ZJUUUORDSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.03
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

(3R,4S)-3,4-dipropylazetidin-2-one
CID 102456687
(3S,4S)-3-ethyl-4-propylazetidin-2-one
CID 55287700
(3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one
CID 55303809
4-but-3-enylcyclohexan-1-one
CID 130029411
3-butyl-4-ethenylazetidin-2-one
CID 13000011
(2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one
CID 101259280
3-but-3-enylcyclopentan-1-one
CID 13045271
(2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid
CID 70320136
trans-(2S,5R)-2-but-3-enyl-5-methylcyclopentan-1-one
CID 86338735
(5S)-5-but-3-enyl-1,3-oxazolidin-2-one
CID 89405758
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
(3S,4S)-3-(2-hydroxypropan-2-yl)-4-prop-2-enylazetidin-2-one
CID 70510791

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one (CID 138980136) is (3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one is C=CCC[C@@H]1NC(=O)[C@@H]1CCC=C.
What is the InChIKey of (3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one?
The InChIKey is HJTDQYKLXWLKOJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-5-7-9-10(8-6-4-2)12-11(9)13/h3-4,9-10H,1-2,5-8H2,(H,12,13)/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one?
(3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one is sourced from PubChem (CID 138980136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).