(3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one

C11H19NO — CID 59087266

IUPAC(3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one
SMILESC=C(C)C[C@H]1C(=O)N(C)[C@H]1CCC
InChIInChI=1S/C11H19NO/c1-5-6-10-9(7-8(2)3)11(13)12(10)4/h9-10H,2,5-7H2,1,3-4H3/t9-,10+/m1/s1
InChIKeyHITAIQVPUOYYSW-ZJUUUORDSA-N
MW181.28 g/mol
LogP2.21
Rot. Bonds4

About (3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one

(3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one (PubChem CID 59087266) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one
PubChem CID59087266
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one
SMILESC=C(C)C[C@H]1C(=O)N(C)[C@H]1CCC
InChIInChI=1S/C11H19NO/c1-5-6-10-9(7-8(2)3)11(13)12(10)4/h9-10H,2,5-7H2,1,3-4H3/t9-,10+/m1/s1
InChIKeyHITAIQVPUOYYSW-ZJUUUORDSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one?
The IUPAC name of (3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one (CID 59087266) is (3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one is C=C(C)C[C@H]1C(=O)N(C)[C@H]1CCC.
What is the InChIKey of (3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one?
The InChIKey is HITAIQVPUOYYSW-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-6-10-9(7-8(2)3)11(13)12(10)4/h9-10H,2,5-7H2,1,3-4H3/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one?
(3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one is sourced from PubChem (CID 59087266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).