(3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one

C13H23NO — CID 54018005

IUPAC(3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one
SMILESCC(C)=C(C)C[C@H]1C(=O)N(C(C)C)[C@@H]1C
InChIInChI=1S/C13H23NO/c1-8(2)10(5)7-12-11(6)14(9(3)4)13(12)15/h9,11-12H,7H2,1-6H3/t11-,12-/m1/s1
InChIKeyKWYBLVYLWXQJTF-VXGBXAGGSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds3

About (3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one

(3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one (PubChem CID 54018005) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one
PubChem CID54018005
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one
SMILESCC(C)=C(C)C[C@H]1C(=O)N(C(C)C)[C@@H]1C
InChIInChI=1S/C13H23NO/c1-8(2)10(5)7-12-11(6)14(9(3)4)13(12)15/h9,11-12H,7H2,1-6H3/t11-,12-/m1/s1
InChIKeyKWYBLVYLWXQJTF-VXGBXAGGSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one?
The IUPAC name of (3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one (CID 54018005) is (3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one is CC(C)=C(C)C[C@H]1C(=O)N(C(C)C)[C@@H]1C.
What is the InChIKey of (3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one?
The InChIKey is KWYBLVYLWXQJTF-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H23NO/c1-8(2)10(5)7-12-11(6)14(9(3)4)13(12)15/h9,11-12H,7H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one?
(3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one has a molecular weight of 209.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one is sourced from PubChem (CID 54018005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).