azetidin-1-yl prop-2-enoate

C6H9NO2 — CID 23366575

IUPACazetidin-1-yl prop-2-enoate
SMILESC=CC(=O)ON1CCC1
InChIInChI=1S/C6H9NO2/c1-2-6(8)9-7-4-3-5-7/h2H,1,3-5H2
InChIKeyNWOKNRTZMOQGFW-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.34
Rot. Bonds2

About azetidin-1-yl prop-2-enoate

azetidin-1-yl prop-2-enoate (PubChem CID 23366575) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is azetidin-1-yl prop-2-enoate.

Molecular Properties

Compound Nameazetidin-1-yl prop-2-enoate
PubChem CID23366575
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Nameazetidin-1-yl prop-2-enoate
SMILESC=CC(=O)ON1CCC1
InChIInChI=1S/C6H9NO2/c1-2-6(8)9-7-4-3-5-7/h2H,1,3-5H2
InChIKeyNWOKNRTZMOQGFW-UHFFFAOYSA-N
XLogP0.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.34
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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Related Compounds

dipyrrolidin-1-yl (E)-but-2-enedioate
CID 68896347
(4-pyrimidin-2-ylpiperazin-1-yl) prop-2-enoate
CID 101010227
aziridin-1-yl buta-2,3-dienoate
CID 22966692
4,5-dihydroimidazol-1-yl prop-2-enoate
CID 175302816
1-(azetidin-1-yl)prop-2-en-1-one
CID 25230596
cyclobutane;methyl prop-2-enoate;hydrate
CID 157183952
(2,5-dioxopyrrol-1-yl) prop-2-enoate
CID 87099539
(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid
CID 174926925
(2,5-dioxopiperidin-1-yl) prop-2-enoate
CID 143635635
(2-propan-2-yl-1,3-oxazolidin-3-yl) prop-2-enoate
CID 67923409
pyrrolidin-1-yl cyclopropanecarboxylate
CID 154313391
tert-butyl prop-2-enoate;cycloicosane
CID 174934602

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl prop-2-enoate?
The IUPAC name of azetidin-1-yl prop-2-enoate (CID 23366575) is azetidin-1-yl prop-2-enoate.
What is the SMILES notation for azetidin-1-yl prop-2-enoate?
The canonical SMILES for azetidin-1-yl prop-2-enoate is C=CC(=O)ON1CCC1.
What is the InChIKey of azetidin-1-yl prop-2-enoate?
The InChIKey is NWOKNRTZMOQGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-6(8)9-7-4-3-5-7/h2H,1,3-5H2.
What are the key properties of azetidin-1-yl prop-2-enoate?
azetidin-1-yl prop-2-enoate has a molecular weight of 127.14 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl prop-2-enoate is sourced from PubChem (CID 23366575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).