(3S,4S)-3-ethyl-4-propylazetidin-2-one

C8H15NO — CID 55287700

IUPAC(3S,4S)-3-ethyl-4-propylazetidin-2-one
SMILESCCC[C@@H]1NC(=O)[C@H]1CC
InChIInChI=1S/C8H15NO/c1-3-5-7-6(4-2)8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7-/m0/s1
InChIKeyDTGHSQKWHWCKGE-BQBZGAKWSA-N
MW141.21 g/mol
LogP1.31
Rot. Bonds3

About (3S,4S)-3-ethyl-4-propylazetidin-2-one

(3S,4S)-3-ethyl-4-propylazetidin-2-one (PubChem CID 55287700) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3S,4S)-3-ethyl-4-propylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-ethyl-4-propylazetidin-2-one
PubChem CID55287700
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3S,4S)-3-ethyl-4-propylazetidin-2-one
SMILESCCC[C@@H]1NC(=O)[C@H]1CC
InChIInChI=1S/C8H15NO/c1-3-5-7-6(4-2)8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7-/m0/s1
InChIKeyDTGHSQKWHWCKGE-BQBZGAKWSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-ethyl-4-propylazetidin-2-one?
The IUPAC name of (3S,4S)-3-ethyl-4-propylazetidin-2-one (CID 55287700) is (3S,4S)-3-ethyl-4-propylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-ethyl-4-propylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-ethyl-4-propylazetidin-2-one is CCC[C@@H]1NC(=O)[C@H]1CC.
What is the InChIKey of (3S,4S)-3-ethyl-4-propylazetidin-2-one?
The InChIKey is DTGHSQKWHWCKGE-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-7-6(4-2)8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7-/m0/s1.
What are the key properties of (3S,4S)-3-ethyl-4-propylazetidin-2-one?
(3S,4S)-3-ethyl-4-propylazetidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-ethyl-4-propylazetidin-2-one is sourced from PubChem (CID 55287700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).