4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one

C9H13NO — CID 45088285

IUPAC4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)CC1(C)C=C
InChIInChI=1S/C9H13NO/c1-4-6-10-8(11)7-9(10,3)5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyOCTQKGNGQXFMCT-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds3

About 4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one

4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one (PubChem CID 45088285) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one
PubChem CID45088285
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)CC1(C)C=C
InChIInChI=1S/C9H13NO/c1-4-6-10-8(11)7-9(10,3)5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyOCTQKGNGQXFMCT-UHFFFAOYSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
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 4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one?
The IUPAC name of 4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one (CID 45088285) is 4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one.
What is the SMILES notation for 4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one?
The canonical SMILES for 4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one is C=CCN1C(=O)CC1(C)C=C.
What is the InChIKey of 4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one?
The InChIKey is OCTQKGNGQXFMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-6-10-8(11)7-9(10,3)5-2/h4-5H,1-2,6-7H2,3H3.
What are the key properties of 4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one?
4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-methyl-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 45088285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).