(4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one

C10H17NO — CID 134892673

IUPAC(4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one
SMILESC/C=C/[C@H]1CC(=O)N1C(C)(C)C
InChIInChI=1S/C10H17NO/c1-5-6-8-7-9(12)11(8)10(2,3)4/h5-6,8H,7H2,1-4H3/b6-5+/t8-/m0/s1
InChIKeyQQXHBBPFKVLYHB-GJIOHYHPSA-N
MW167.25 g/mol
LogP1.96
Rot. Bonds1

About (4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one

(4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one (PubChem CID 134892673) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one.

Molecular Properties

Compound Name(4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one
PubChem CID134892673
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one
SMILESC/C=C/[C@H]1CC(=O)N1C(C)(C)C
InChIInChI=1S/C10H17NO/c1-5-6-8-7-9(12)11(8)10(2,3)4/h5-6,8H,7H2,1-4H3/b6-5+/t8-/m0/s1
InChIKeyQQXHBBPFKVLYHB-GJIOHYHPSA-N
XLogP1.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.96
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

5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one
CID 542874
1-Carba-1-penem
CID 70098994
2-Ethyl-2-azabicyclo[2.2.0]hex-5-en-3-one
CID 12013022
2-(2-Methylpropyl)-2-azabicyclo[2.2.0]hex-5-en-3-one
CID 12013025
2-Butyl-2-azabicyclo[2.2.0]hex-5-en-3-one
CID 12955719
4-Ethenyl-1-methylazetidin-2-one
CID 298599
5-Methyl-6-keto-bicyclo(2.2.0)-5-aza-hex-2-ene
CID 542901
2-Propyl-2-azabicyclo[2.2.0]hex-5-en-3-one
CID 14489644
6-Methyl-1-azabicyclo[4.2.0]oct-4-en-8-one
CID 45087701
2-Azetidinone, 4-ethenyl-4-methyl-1-(2-propenyl)-
CID 45088285
2-Azetidinone, 1-(3-butenyl)-4-ethenyl-4-methyl-
CID 45088854
1-Azabicyclo[3.2.0]hept-3-en-7-one
CID 20485709

Frequently Asked Questions

What is the IUPAC name of (4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one?
The IUPAC name of (4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one (CID 134892673) is (4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one.
What is the SMILES notation for (4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one?
The canonical SMILES for (4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one is C/C=C/[C@H]1CC(=O)N1C(C)(C)C.
What is the InChIKey of (4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one?
The InChIKey is QQXHBBPFKVLYHB-GJIOHYHPSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-6-8-7-9(12)11(8)10(2,3)4/h5-6,8H,7H2,1-4H3/b6-5+/t8-/m0/s1.
What are the key properties of (4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one?
(4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-tert-butyl-4-[(E)-prop-1-enyl]azetidin-2-one is sourced from PubChem (CID 134892673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).