(3S,4S)-3,4-bis(ethenyl)azetidin-2-one

C7H9NO — CID 55298762

IUPAC(3S,4S)-3,4-bis(ethenyl)azetidin-2-one
SMILESC=C[C@@H]1NC(=O)[C@H]1C=C
InChIInChI=1S/C7H9NO/c1-3-5-6(4-2)8-7(5)9/h3-6H,1-2H2,(H,8,9)/t5-,6-/m0/s1
InChIKeyPSAQVUMNLVMHIN-WDSKDSINSA-N
MW123.15 g/mol
LogP0.47
Rot. Bonds2

About (3S,4S)-3,4-bis(ethenyl)azetidin-2-one

(3S,4S)-3,4-bis(ethenyl)azetidin-2-one (PubChem CID 55298762) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (3S,4S)-3,4-bis(ethenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3,4-bis(ethenyl)azetidin-2-one
PubChem CID55298762
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(3S,4S)-3,4-bis(ethenyl)azetidin-2-one
SMILESC=C[C@@H]1NC(=O)[C@H]1C=C
InChIInChI=1S/C7H9NO/c1-3-5-6(4-2)8-7(5)9/h3-6H,1-2H2,(H,8,9)/t5-,6-/m0/s1
InChIKeyPSAQVUMNLVMHIN-WDSKDSINSA-N
XLogP0.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-bis(ethenyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3,4-bis(ethenyl)azetidin-2-one (CID 55298762) is (3S,4S)-3,4-bis(ethenyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3,4-bis(ethenyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3,4-bis(ethenyl)azetidin-2-one is C=C[C@@H]1NC(=O)[C@H]1C=C.
What is the InChIKey of (3S,4S)-3,4-bis(ethenyl)azetidin-2-one?
The InChIKey is PSAQVUMNLVMHIN-WDSKDSINSA-N. The full InChI is InChI=1S/C7H9NO/c1-3-5-6(4-2)8-7(5)9/h3-6H,1-2H2,(H,8,9)/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-3,4-bis(ethenyl)azetidin-2-one?
(3S,4S)-3,4-bis(ethenyl)azetidin-2-one has a molecular weight of 123.15 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-bis(ethenyl)azetidin-2-one is sourced from PubChem (CID 55298762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).