(3S,4R)-4-acetyl-3-ethylazetidin-2-one

C7H11NO2 — CID 131846194

IUPAC(3S,4R)-4-acetyl-3-ethylazetidin-2-one
SMILESCC[C@@H]1C(=O)N[C@H]1C(C)=O
InChIInChI=1S/C7H11NO2/c1-3-5-6(4(2)9)8-7(5)10/h5-6H,3H2,1-2H3,(H,8,10)/t5-,6-/m0/s1
InChIKeyOBKZMIMJXXNXCM-WDSKDSINSA-N
MW141.17 g/mol
LogP0.10
Rot. Bonds2

About (3S,4R)-4-acetyl-3-ethylazetidin-2-one

(3S,4R)-4-acetyl-3-ethylazetidin-2-one (PubChem CID 131846194) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (3S,4R)-4-acetyl-3-ethylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-acetyl-3-ethylazetidin-2-one
PubChem CID131846194
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(3S,4R)-4-acetyl-3-ethylazetidin-2-one
SMILESCC[C@@H]1C(=O)N[C@H]1C(C)=O
InChIInChI=1S/C7H11NO2/c1-3-5-6(4(2)9)8-7(5)10/h5-6H,3H2,1-2H3,(H,8,10)/t5-,6-/m0/s1
InChIKeyOBKZMIMJXXNXCM-WDSKDSINSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2R,3S)-3-ethyl-4-oxoazetidine-2-carboxylate
CID 135039952
(3S,4S)-3-ethyl-4-propylazetidin-2-one
CID 55287700
(2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid
CID 58773470
3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one
CID 13137496
3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid
CID 70535367
(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749
3,4-diethylcyclobutane-1,2-dione
CID 141348046
2-ethyl-3-hydroxycyclopropan-1-one
CID 90788395
(3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 131851987
(2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid
CID 70320136
tert-butyl (2S,3S,4R)-4-(2-methylprop-2-enyl)-5-oxo-3-propylpyrrolidine-2-carboxylate
CID 25179597
acetic acid;ethylcyclopropane
CID 175213909

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-acetyl-3-ethylazetidin-2-one?
The IUPAC name of (3S,4R)-4-acetyl-3-ethylazetidin-2-one (CID 131846194) is (3S,4R)-4-acetyl-3-ethylazetidin-2-one.
What is the SMILES notation for (3S,4R)-4-acetyl-3-ethylazetidin-2-one?
The canonical SMILES for (3S,4R)-4-acetyl-3-ethylazetidin-2-one is CC[C@@H]1C(=O)N[C@H]1C(C)=O.
What is the InChIKey of (3S,4R)-4-acetyl-3-ethylazetidin-2-one?
The InChIKey is OBKZMIMJXXNXCM-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-5-6(4(2)9)8-7(5)10/h5-6H,3H2,1-2H3,(H,8,10)/t5-,6-/m0/s1.
What are the key properties of (3S,4R)-4-acetyl-3-ethylazetidin-2-one?
(3S,4R)-4-acetyl-3-ethylazetidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-acetyl-3-ethylazetidin-2-one is sourced from PubChem (CID 131846194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).