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

C13H17NO — CID 11820200

IUPAC(3S,4S)-3-benzyl-4-propylazetidin-2-one
SMILESCCC[C@@H]1NC(=O)[C@H]1Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-2-6-12-11(13(15)14-12)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3,(H,14,15)/t11-,12-/m0/s1
InChIKeyHRGGJUXXGYWVKU-RYUDHWBXSA-N
MW203.29 g/mol
LogP2.14
Rot. Bonds4

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

(3S,4S)-3-benzyl-4-propylazetidin-2-one (PubChem CID 11820200) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3S,4S)-3-benzyl-4-propylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-benzyl-4-propylazetidin-2-one
PubChem CID11820200
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3S,4S)-3-benzyl-4-propylazetidin-2-one
SMILESCCC[C@@H]1NC(=O)[C@H]1Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-2-6-12-11(13(15)14-12)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3,(H,14,15)/t11-,12-/m0/s1
InChIKeyHRGGJUXXGYWVKU-RYUDHWBXSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-3-ethylazetidin-2-one
CID 85185683
(3R,4S)-3,4-dipropylazetidin-2-one
CID 102456687
3-benzyl-4-methylazetidin-2-one
CID 55255467
(3S,4S)-3-ethyl-4-propylazetidin-2-one
CID 55287700
5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione
CID 91699920
(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 14023295
3-benzyl-1H-pyridine-2,4-dione
CID 70180981
(3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one
CID 10559556
5-benzyl-4-(4-methylcyclohexyl)pyrrolidin-2-one
CID 66102590
(3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one
CID 10353943
(2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one
CID 11195903
3-benzyl-4-ethylpyrrolidin-2-one;ethane
CID 142181453

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-benzyl-4-propylazetidin-2-one?
The IUPAC name of (3S,4S)-3-benzyl-4-propylazetidin-2-one (CID 11820200) is (3S,4S)-3-benzyl-4-propylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-benzyl-4-propylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-benzyl-4-propylazetidin-2-one is CCC[C@@H]1NC(=O)[C@H]1Cc1ccccc1.
What is the InChIKey of (3S,4S)-3-benzyl-4-propylazetidin-2-one?
The InChIKey is HRGGJUXXGYWVKU-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-6-12-11(13(15)14-12)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3,(H,14,15)/t11-,12-/m0/s1.
What are the key properties of (3S,4S)-3-benzyl-4-propylazetidin-2-one?
(3S,4S)-3-benzyl-4-propylazetidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-benzyl-4-propylazetidin-2-one is sourced from PubChem (CID 11820200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).