(3R,4S)-3,4-dipropylazetidin-2-one

C9H17NO — CID 102456687

IUPAC(3R,4S)-3,4-dipropylazetidin-2-one
SMILESCCC[C@@H]1NC(=O)[C@@H]1CCC
InChIInChI=1S/C9H17NO/c1-3-5-7-8(6-4-2)10-9(7)11/h7-8H,3-6H2,1-2H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyPQCUSPABJJWXAP-SFYZADRCSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds4

About (3R,4S)-3,4-dipropylazetidin-2-one

(3R,4S)-3,4-dipropylazetidin-2-one (PubChem CID 102456687) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3R,4S)-3,4-dipropylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3,4-dipropylazetidin-2-one
PubChem CID102456687
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3R,4S)-3,4-dipropylazetidin-2-one
SMILESCCC[C@@H]1NC(=O)[C@@H]1CCC
InChIInChI=1S/C9H17NO/c1-3-5-7-8(6-4-2)10-9(7)11/h7-8H,3-6H2,1-2H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyPQCUSPABJJWXAP-SFYZADRCSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4S)-3-ethyl-4-propylazetidin-2-one
CID 55287700
(3S,4S)-3-benzyl-4-propylazetidin-2-one
CID 11820200
4,5-dipropylcyclopentane-1,2,3-trione
CID 89372645
(2R,3S)-2,3-dipropylaziridine
CID 55299742
5-propylimidazolidine-2,4-dione
CID 567619
3-ethylsulfanyl-4-propylpyrrolidine-2,5-dione
CID 58947001
3-butyl-4-ethenylazetidin-2-one
CID 13000011
(4S)-4-propylazetidin-2-one
CID 18603540
(3R,4S,5S)-3-(2-ethylbutyl)-5-(hydroxymethyl)-4-pentylpyrrolidin-2-one
CID 67570638
(1R,3R,4R)-1,7,7-trimethyl-3-propylbicyclo[2.2.1]heptan-2-one
CID 7053598
4-benzyl-3-ethylazetidin-2-one
CID 85185683
(4S)-4-propylazetidin-2-one;hydrochloride
CID 66909952

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dipropylazetidin-2-one?
The IUPAC name of (3R,4S)-3,4-dipropylazetidin-2-one (CID 102456687) is (3R,4S)-3,4-dipropylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3,4-dipropylazetidin-2-one?
The canonical SMILES for (3R,4S)-3,4-dipropylazetidin-2-one is CCC[C@@H]1NC(=O)[C@@H]1CCC.
What is the InChIKey of (3R,4S)-3,4-dipropylazetidin-2-one?
The InChIKey is PQCUSPABJJWXAP-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-7-8(6-4-2)10-9(7)11/h7-8H,3-6H2,1-2H3,(H,10,11)/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-3,4-dipropylazetidin-2-one?
(3R,4S)-3,4-dipropylazetidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dipropylazetidin-2-one is sourced from PubChem (CID 102456687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).