(2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide

C11H19NO2 — CID 134855897

IUPAC(2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide
SMILESCCN(CC)C(=O)/C=C1\CCC(C)O1
InChIInChI=1S/C11H19NO2/c1-4-12(5-2)11(13)8-10-7-6-9(3)14-10/h8-9H,4-7H2,1-3H3/b10-8+
InChIKeyCYNXRZPASBFRNH-CSKARUKUSA-N
MW197.28 g/mol
LogP1.94
Rot. Bonds3

About (2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide

(2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide (PubChem CID 134855897) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide
PubChem CID134855897
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide
SMILESCCN(CC)C(=O)/C=C1\CCC(C)O1
InChIInChI=1S/C11H19NO2/c1-4-12(5-2)11(13)8-10-7-6-9(3)14-10/h8-9H,4-7H2,1-3H3/b10-8+
InChIKeyCYNXRZPASBFRNH-CSKARUKUSA-N
XLogP1.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.94
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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Related Compounds

(2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone
CID 101440721
(2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide
CID 134975210
(2Z)-2-(5-ethenyloxolan-2-ylidene)-N,N-diethylacetamide
CID 10899853
(2E)-N,N-diethyl-2-(oxolan-2-ylidene)acetamide
CID 11446731
(2Z)-N,N-diethyl-2-[5-(hydroxymethyl)oxolan-2-ylidene]acetamide
CID 11736013
(2Z)-N,N-diethyl-2-(oxolan-2-ylidene)acetamide
CID 101028550
(E)-7-propan-2-yloxy-1-pyrrolidin-1-ylhept-2-en-1-one
CID 159542504
(E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide
CID 159542505
(2Z)-2-[(5R)-5-ethenyloxolan-2-ylidene]-N,N-dimethylacetamide
CID 177404361
(2Z)-N,N-diethyl-2-[(5R)-5-(hydroxymethyl)oxolan-2-ylidene]acetamide
CID 177513935

Frequently Asked Questions

What is the IUPAC name of (2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide?
The IUPAC name of (2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide (CID 134855897) is (2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide.
What is the SMILES notation for (2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide?
The canonical SMILES for (2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide is CCN(CC)C(=O)/C=C1\CCC(C)O1.
What is the InChIKey of (2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide?
The InChIKey is CYNXRZPASBFRNH-CSKARUKUSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-12(5-2)11(13)8-10-7-6-9(3)14-10/h8-9H,4-7H2,1-3H3/b10-8+.
What are the key properties of (2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide?
(2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide has a molecular weight of 197.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide is sourced from PubChem (CID 134855897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).