azetidin-1-yl 2-methylprop-2-enoate

C7H11NO2 — CID 23366574

IUPACazetidin-1-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON1CCC1
InChIInChI=1S/C7H11NO2/c1-6(2)7(9)10-8-4-3-5-8/h1,3-5H2,2H3
InChIKeyACRSCJZMSNURBL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.73
Rot. Bonds2

About azetidin-1-yl 2-methylprop-2-enoate

azetidin-1-yl 2-methylprop-2-enoate (PubChem CID 23366574) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is azetidin-1-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameazetidin-1-yl 2-methylprop-2-enoate
PubChem CID23366574
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Nameazetidin-1-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON1CCC1
InChIInChI=1S/C7H11NO2/c1-6(2)7(9)10-8-4-3-5-8/h1,3-5H2,2H3
InChIKeyACRSCJZMSNURBL-UHFFFAOYSA-N
XLogP0.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl 2-methylprop-2-enoate?
The IUPAC name of azetidin-1-yl 2-methylprop-2-enoate (CID 23366574) is azetidin-1-yl 2-methylprop-2-enoate.
What is the SMILES notation for azetidin-1-yl 2-methylprop-2-enoate?
The canonical SMILES for azetidin-1-yl 2-methylprop-2-enoate is C=C(C)C(=O)ON1CCC1.
What is the InChIKey of azetidin-1-yl 2-methylprop-2-enoate?
The InChIKey is ACRSCJZMSNURBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6(2)7(9)10-8-4-3-5-8/h1,3-5H2,2H3.
What are the key properties of azetidin-1-yl 2-methylprop-2-enoate?
azetidin-1-yl 2-methylprop-2-enoate has a molecular weight of 141.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl 2-methylprop-2-enoate is sourced from PubChem (CID 23366574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).