2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione

C12H17NO3 — CID 17036361

IUPAC2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione
SMILESCCN1CCOC1=C1C(=O)CC(C)CC1=O
InChIInChI=1S/C12H17NO3/c1-3-13-4-5-16-12(13)11-9(14)6-8(2)7-10(11)15/h8H,3-7H2,1-2H3/b12-11-
InChIKeyWXFWSWZSQBWJBV-QXMHVHEDSA-N
MW223.27 g/mol
LogP1.12
Rot. Bonds1

About 2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione

2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione (PubChem CID 17036361) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione.

Molecular Properties

Compound Name2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione
PubChem CID17036361
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione
SMILESCCN1CCOC1=C1C(=O)CC(C)CC1=O
InChIInChI=1S/C12H17NO3/c1-3-13-4-5-16-12(13)11-9(14)6-8(2)7-10(11)15/h8H,3-7H2,1-2H3/b12-11-
InChIKeyWXFWSWZSQBWJBV-QXMHVHEDSA-N
XLogP1.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione?
The IUPAC name of 2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione (CID 17036361) is 2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione.
What is the SMILES notation for 2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione?
The canonical SMILES for 2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione is CCN1CCOC1=C1C(=O)CC(C)CC1=O.
What is the InChIKey of 2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione?
The InChIKey is WXFWSWZSQBWJBV-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-13-4-5-16-12(13)11-9(14)6-8(2)7-10(11)15/h8H,3-7H2,1-2H3/b12-11-.
What are the key properties of 2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione?
2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione has a molecular weight of 223.27 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,3-oxazolidin-2-ylidene)-5-methylcyclohexane-1,3-dione is sourced from PubChem (CID 17036361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).