(2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide

C12H21NO2 — CID 134975210

IUPAC(2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)/C=C1\CCC(C)(C)O1
InChIInChI=1S/C12H21NO2/c1-5-13(6-2)11(14)9-10-7-8-12(3,4)15-10/h9H,5-8H2,1-4H3/b10-9+
InChIKeyIGFRLRPNYFYGOT-MDZDMXLPSA-N
MW211.30 g/mol
LogP2.33
Rot. Bonds3

About (2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide

(2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide (PubChem CID 134975210) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide.

Molecular Properties

Compound Name(2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide
PubChem CID134975210
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)/C=C1\CCC(C)(C)O1
InChIInChI=1S/C12H21NO2/c1-5-13(6-2)11(14)9-10-7-8-12(3,4)15-10/h9H,5-8H2,1-4H3/b10-9+
InChIKeyIGFRLRPNYFYGOT-MDZDMXLPSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide?
The IUPAC name of (2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide (CID 134975210) is (2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide.
What is the SMILES notation for (2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide?
The canonical SMILES for (2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide is CCN(CC)C(=O)/C=C1\CCC(C)(C)O1.
What is the InChIKey of (2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide?
The InChIKey is IGFRLRPNYFYGOT-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-13(6-2)11(14)9-10-7-8-12(3,4)15-10/h9H,5-8H2,1-4H3/b10-9+.
What are the key properties of (2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide?
(2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide has a molecular weight of 211.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide is sourced from PubChem (CID 134975210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).