(2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide

C10H15NO2 — CID 177404361

IUPAC(2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide
SMILESC=C[C@H]1CC/C(=C/C(=O)N(C)C)O1
InChIInChI=1S/C10H15NO2/c1-4-8-5-6-9(13-8)7-10(12)11(2)3/h4,7-8H,1,5-6H2,2-3H3/b9-7-/t8-/m0/s1
InChIKeyACBWTFUBLBVYCO-FZGDARCMSA-N
MW181.23 g/mol
LogP1.32
Rot. Bonds2

About (2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide

(2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide (PubChem CID 177404361) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide.

Molecular Properties

Compound Name(2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide
PubChem CID177404361
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide
SMILESC=C[C@H]1CC/C(=C/C(=O)N(C)C)O1
InChIInChI=1S/C10H15NO2/c1-4-8-5-6-9(13-8)7-10(12)11(2)3/h4,7-8H,1,5-6H2,2-3H3/b9-7-/t8-/m0/s1
InChIKeyACBWTFUBLBVYCO-FZGDARCMSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide?
The IUPAC name of (2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide (CID 177404361) is (2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide.
What is the SMILES notation for (2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide?
The canonical SMILES for (2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide is C=C[C@H]1CC/C(=C/C(=O)N(C)C)O1.
What is the InChIKey of (2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide?
The InChIKey is ACBWTFUBLBVYCO-FZGDARCMSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-8-5-6-9(13-8)7-10(12)11(2)3/h4,7-8H,1,5-6H2,2-3H3/b9-7-/t8-/m0/s1.
What are the key properties of (2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide?
(2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide has a molecular weight of 181.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide is sourced from PubChem (CID 177404361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).