(3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one

C7H13NO — CID 135038233

IUPAC(3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one
SMILESCC[C@@H]1C(=O)N(C)[C@H]1C
InChIInChI=1S/C7H13NO/c1-4-6-5(2)8(3)7(6)9/h5-6H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyUYOXZRVHIMKCRM-WDSKDSINSA-N
MW127.19 g/mol
LogP0.87
Rot. Bonds1

About (3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one

(3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one (PubChem CID 135038233) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one
PubChem CID135038233
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one
SMILESCC[C@@H]1C(=O)N(C)[C@H]1C
InChIInChI=1S/C7H13NO/c1-4-6-5(2)8(3)7(6)9/h5-6H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyUYOXZRVHIMKCRM-WDSKDSINSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one?
The IUPAC name of (3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one (CID 135038233) is (3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one is CC[C@@H]1C(=O)N(C)[C@H]1C.
What is the InChIKey of (3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one?
The InChIKey is UYOXZRVHIMKCRM-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6-5(2)8(3)7(6)9/h5-6H,4H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one?
(3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-ethyl-1,4-dimethylazetidin-2-one is sourced from PubChem (CID 135038233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).