3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one

C15H23NO — CID 135079172

IUPAC3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one
SMILESC#C/C(=C\CN1C(=O)C(CC)C1CC)CCC
InChIInChI=1S/C15H23NO/c1-5-9-12(6-2)10-11-16-14(8-4)13(7-3)15(16)17/h2,10,13-14H,5,7-9,11H2,1,3-4H3/b12-10+
InChIKeyPHNJLOKJPGPAMI-ZRDIBKRKSA-N
MW233.35 g/mol
LogP2.99
Rot. Bonds6

About 3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one

3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one (PubChem CID 135079172) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one.

Molecular Properties

Compound Name3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one
PubChem CID135079172
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one
SMILESC#C/C(=C\CN1C(=O)C(CC)C1CC)CCC
InChIInChI=1S/C15H23NO/c1-5-9-12(6-2)10-11-16-14(8-4)13(7-3)15(16)17/h2,10,13-14H,5,7-9,11H2,1,3-4H3/b12-10+
InChIKeyPHNJLOKJPGPAMI-ZRDIBKRKSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one?
The IUPAC name of 3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one (CID 135079172) is 3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one.
What is the SMILES notation for 3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one?
The canonical SMILES for 3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one is C#C/C(=C\CN1C(=O)C(CC)C1CC)CCC.
What is the InChIKey of 3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one?
The InChIKey is PHNJLOKJPGPAMI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-9-12(6-2)10-11-16-14(8-4)13(7-3)15(16)17/h2,10,13-14H,5,7-9,11H2,1,3-4H3/b12-10+.
What are the key properties of 3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one?
3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one has a molecular weight of 233.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1-[(Z)-3-ethynylhex-2-enyl]azetidin-2-one is sourced from PubChem (CID 135079172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).