2-oxo-4-propan-2-ylideneoxetane-3-carboxamide

C7H9NO3 — CID 57094312

IUPAC2-oxo-4-propan-2-ylideneoxetane-3-carboxamide
SMILESCC(C)=C1OC(=O)C1C(N)=O
InChIInChI=1S/C7H9NO3/c1-3(2)5-4(6(8)9)7(10)11-5/h4H,1-2H3,(H2,8,9)
InChIKeyLIANFNBLCKKDBQ-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.06
Rot. Bonds1

About 2-oxo-4-propan-2-ylideneoxetane-3-carboxamide

2-oxo-4-propan-2-ylideneoxetane-3-carboxamide (PubChem CID 57094312) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-oxo-4-propan-2-ylideneoxetane-3-carboxamide.

Molecular Properties

Compound Name2-oxo-4-propan-2-ylideneoxetane-3-carboxamide
PubChem CID57094312
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-oxo-4-propan-2-ylideneoxetane-3-carboxamide
SMILESCC(C)=C1OC(=O)C1C(N)=O
InChIInChI=1S/C7H9NO3/c1-3(2)5-4(6(8)9)7(10)11-5/h4H,1-2H3,(H2,8,9)
InChIKeyLIANFNBLCKKDBQ-UHFFFAOYSA-N
XLogP-0.06
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-propan-2-ylideneoxetane-3-carboxamide?
The IUPAC name of 2-oxo-4-propan-2-ylideneoxetane-3-carboxamide (CID 57094312) is 2-oxo-4-propan-2-ylideneoxetane-3-carboxamide.
What is the SMILES notation for 2-oxo-4-propan-2-ylideneoxetane-3-carboxamide?
The canonical SMILES for 2-oxo-4-propan-2-ylideneoxetane-3-carboxamide is CC(C)=C1OC(=O)C1C(N)=O.
What is the InChIKey of 2-oxo-4-propan-2-ylideneoxetane-3-carboxamide?
The InChIKey is LIANFNBLCKKDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-3(2)5-4(6(8)9)7(10)11-5/h4H,1-2H3,(H2,8,9).
What are the key properties of 2-oxo-4-propan-2-ylideneoxetane-3-carboxamide?
2-oxo-4-propan-2-ylideneoxetane-3-carboxamide has a molecular weight of 155.15 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-propan-2-ylideneoxetane-3-carboxamide is sourced from PubChem (CID 57094312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).