4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one

C12H21NO3 — CID 144968297

IUPAC4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one
SMILESCCC(/C=C/C1NC(=O)C1OCOC)CC
InChIInChI=1S/C12H21NO3/c1-4-9(5-2)6-7-10-11(12(14)13-10)16-8-15-3/h6-7,9-11H,4-5,8H2,1-3H3,(H,13,14)/b7-6+
InChIKeyLGUKWWMKGKIPIV-VOTSOKGWSA-N
MW227.30 g/mol
LogP1.47
Rot. Bonds7

About 4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one

4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one (PubChem CID 144968297) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one.

Molecular Properties

Compound Name4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one
PubChem CID144968297
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one
SMILESCCC(/C=C/C1NC(=O)C1OCOC)CC
InChIInChI=1S/C12H21NO3/c1-4-9(5-2)6-7-10-11(12(14)13-10)16-8-15-3/h6-7,9-11H,4-5,8H2,1-3H3,(H,13,14)/b7-6+
InChIKeyLGUKWWMKGKIPIV-VOTSOKGWSA-N
XLogP1.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one?
The IUPAC name of 4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one (CID 144968297) is 4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one.
What is the SMILES notation for 4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one?
The canonical SMILES for 4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one is CCC(/C=C/C1NC(=O)C1OCOC)CC.
What is the InChIKey of 4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one?
The InChIKey is LGUKWWMKGKIPIV-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-9(5-2)6-7-10-11(12(14)13-10)16-8-15-3/h6-7,9-11H,4-5,8H2,1-3H3,(H,13,14)/b7-6+.
What are the key properties of 4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one?
4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one has a molecular weight of 227.30 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-ethylpent-1-enyl]-3-(methoxymethoxy)azetidin-2-one is sourced from PubChem (CID 144968297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).