4-ethyl-3-methylidenemorpholine

C7H13NO — CID 59347263

IUPAC4-ethyl-3-methylidenemorpholine
SMILESC=C1COCCN1CC
InChIInChI=1S/C7H13NO/c1-3-8-4-5-9-6-7(8)2/h2-6H2,1H3
InChIKeyOTNRCNSKYZVWJR-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.85
Rot. Bonds1

About 4-ethyl-3-methylidenemorpholine

4-ethyl-3-methylidenemorpholine (PubChem CID 59347263) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-ethyl-3-methylidenemorpholine.

Molecular Properties

Compound Name4-ethyl-3-methylidenemorpholine
PubChem CID59347263
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-ethyl-3-methylidenemorpholine
SMILESC=C1COCCN1CC
InChIInChI=1S/C7H13NO/c1-3-8-4-5-9-6-7(8)2/h2-6H2,1H3
InChIKeyOTNRCNSKYZVWJR-UHFFFAOYSA-N
XLogP0.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methylidenemorpholine?
The IUPAC name of 4-ethyl-3-methylidenemorpholine (CID 59347263) is 4-ethyl-3-methylidenemorpholine.
What is the SMILES notation for 4-ethyl-3-methylidenemorpholine?
The canonical SMILES for 4-ethyl-3-methylidenemorpholine is C=C1COCCN1CC.
What is the InChIKey of 4-ethyl-3-methylidenemorpholine?
The InChIKey is OTNRCNSKYZVWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-8-4-5-9-6-7(8)2/h2-6H2,1H3.
What are the key properties of 4-ethyl-3-methylidenemorpholine?
4-ethyl-3-methylidenemorpholine has a molecular weight of 127.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methylidenemorpholine is sourced from PubChem (CID 59347263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).