(2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one

C8H13NO2 — CID 89194290

IUPAC(2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one
SMILESC/C=C1\OCC(C)N(C)C1=O
InChIInChI=1S/C8H13NO2/c1-4-7-8(10)9(3)6(2)5-11-7/h4,6H,5H2,1-3H3/b7-4-
InChIKeyLTTJXFGSMHEJLQ-DAXSKMNVSA-N
MW155.20 g/mol
LogP0.77
Rot. Bonds

About (2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one

(2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one (PubChem CID 89194290) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one.

Molecular Properties

Compound Name(2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one
PubChem CID89194290
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one
SMILESC/C=C1\OCC(C)N(C)C1=O
InChIInChI=1S/C8H13NO2/c1-4-7-8(10)9(3)6(2)5-11-7/h4,6H,5H2,1-3H3/b7-4-
InChIKeyLTTJXFGSMHEJLQ-DAXSKMNVSA-N
XLogP0.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
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 (2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one?
The IUPAC name of (2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one (CID 89194290) is (2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one.
What is the SMILES notation for (2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one?
The canonical SMILES for (2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one is C/C=C1\OCC(C)N(C)C1=O.
What is the InChIKey of (2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one?
The InChIKey is LTTJXFGSMHEJLQ-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-7-8(10)9(3)6(2)5-11-7/h4,6H,5H2,1-3H3/b7-4-.
What are the key properties of (2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one?
(2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one is sourced from PubChem (CID 89194290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).