(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'}

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Related Compounds

3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one
CID 135079172
2,3,4,4,7-Pentamethyl-1-azabicyclo[4.2.0]oct-2-en-8-one
CID 23571971
2,3,6-Trimethyl-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 23571975
7-Methyl-7-azabicyclo[4.2.0]oct-4-en-8-one
CID 45087732
(3R,4R)-3-(2,3-dimethylbut-2-enyl)-1-ethyl-4-methylazetidin-2-one
CID 53866406
(3S,4S)-3-(2,3-dimethylbut-2-enyl)-1-ethyl-4-methylazetidin-2-one
CID 53866407
(3S,4S)-3-(2,3-dimethylbut-2-enyl)-4-methyl-1-propan-2-ylazetidin-2-one
CID 54018004
(4S)-2,3,4,6-tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 54361453
2,3,4,6-Tetramethyl-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 58612603
(3R,4S)-1-methyl-3-(2-methylprop-2-enyl)-4-propylazetidin-2-one
CID 59087266
(4R,5R,6R)-2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 59105139
(4S,5R,6R)-2,3,4-trimethyl-6-[(1R)-1-phosphanylethyl]-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 59967145

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).