4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one

C9H13NO2 — CID 11768937

IUPAC4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)OC(=C)C1(C)C
InChIInChI=1S/C9H13NO2/c1-5-6-10-8(11)12-7(2)9(10,3)4/h5H,1-2,6H2,3-4H3
InChIKeyHLXNYZQMJKDHED-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.92
Rot. Bonds2

About 4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one

4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 11768937) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID11768937
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)OC(=C)C1(C)C
InChIInChI=1S/C9H13NO2/c1-5-6-10-8(11)12-7(2)9(10,3)4/h5H,1-2,6H2,3-4H3
InChIKeyHLXNYZQMJKDHED-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one (CID 11768937) is 4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one is C=CCN1C(=O)OC(=C)C1(C)C.
What is the InChIKey of 4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is HLXNYZQMJKDHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-5-6-10-8(11)12-7(2)9(10,3)4/h5H,1-2,6H2,3-4H3.
What are the key properties of 4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one?
4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11768937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).