(3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one

C8H13NO — CID 11286503

IUPAC(3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one
SMILESC=CC[C@@H]1C(=O)N(C)[C@H]1C
InChIInChI=1S/C8H13NO/c1-4-5-7-6(2)9(3)8(7)10/h4,6-7H,1,5H2,2-3H3/t6-,7-/m0/s1
InChIKeyMROFGYBSFOHBAY-BQBZGAKWSA-N
MW139.20 g/mol
LogP1.04
Rot. Bonds2

About (3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one

(3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one (PubChem CID 11286503) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one
PubChem CID11286503
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one
SMILESC=CC[C@@H]1C(=O)N(C)[C@H]1C
InChIInChI=1S/C8H13NO/c1-4-5-7-6(2)9(3)8(7)10/h4,6-7H,1,5H2,2-3H3/t6-,7-/m0/s1
InChIKeyMROFGYBSFOHBAY-BQBZGAKWSA-N
XLogP1.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione
CID 155096687
3-(aminomethyl)-1,4-dimethylazetidin-2-one
CID 20715925
1,4-dimethyl-3-(2-phosphanylethyl)azetidin-2-one
CID 163862461
1,4-dimethyl-3-[[methyl(phosphanyl)amino]methyl]azetidin-2-one
CID 20715761
(3S,4R)-1,3,4-trimethylazetidin-2-one
CID 59947134
2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide
CID 20715800
(3R)-1-methyl-3-prop-2-enylpyrrolidin-2-one
CID 129366009
(4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one
CID 58012719
(7R)-1-methyl-7-prop-2-enylazepan-2-one
CID 59072764
[(2S,3S,4R)-4-acetyloxy-1-methyl-5-oxo-2-prop-2-enylpyrrolidin-3-yl] acetate
CID 10879681
(3R,4S)-3-methyl-4-prop-2-enylazetidin-2-one
CID 55303809
1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one
CID 13104228

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one?
The IUPAC name of (3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one (CID 11286503) is (3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one?
The canonical SMILES for (3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one is C=CC[C@@H]1C(=O)N(C)[C@H]1C.
What is the InChIKey of (3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one?
The InChIKey is MROFGYBSFOHBAY-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-7-6(2)9(3)8(7)10/h4,6-7H,1,5H2,2-3H3/t6-,7-/m0/s1.
What are the key properties of (3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one?
(3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,4-dimethyl-3-prop-2-enylazetidin-2-one is sourced from PubChem (CID 11286503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).