(2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone

C12H19NO3 — CID 134855858

IUPAC(2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone
SMILESCC1(C)CC/C(=C\C(=O)N2CCOCC2)O1
InChIInChI=1S/C12H19NO3/c1-12(2)4-3-10(16-12)9-11(14)13-5-7-15-8-6-13/h9H,3-8H2,1-2H3/b10-9+
InChIKeyDTQUTJVOROFAJO-MDZDMXLPSA-N
MW225.29 g/mol
LogP1.32
Rot. Bonds1

About (2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone

(2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone (PubChem CID 134855858) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name(2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone
PubChem CID134855858
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone
SMILESCC1(C)CC/C(=C\C(=O)N2CCOCC2)O1
InChIInChI=1S/C12H19NO3/c1-12(2)4-3-10(16-12)9-11(14)13-5-7-15-8-6-13/h9H,3-8H2,1-2H3/b10-9+
InChIKeyDTQUTJVOROFAJO-MDZDMXLPSA-N
XLogP1.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-1-morpholin-4-yl-2-(oxolan-2-ylidene)ethanone
CID 101440720
(2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone
CID 101440721
(2E)-2-(5,5-dimethyloxolan-2-ylidene)-N,N-diethylacetamide
CID 134975210
(E)-5-(2-methyloxiran-2-yl)-1-morpholin-4-ylpent-2-en-1-one
CID 102421364

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone?
The IUPAC name of (2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone (CID 134855858) is (2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone.
What is the SMILES notation for (2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone?
The canonical SMILES for (2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone is CC1(C)CC/C(=C\C(=O)N2CCOCC2)O1.
What is the InChIKey of (2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone?
The InChIKey is DTQUTJVOROFAJO-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2)4-3-10(16-12)9-11(14)13-5-7-15-8-6-13/h9H,3-8H2,1-2H3/b10-9+.
What are the key properties of (2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone?
(2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone has a molecular weight of 225.29 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone is sourced from PubChem (CID 134855858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).