2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one

C12H19NO3 — CID 121001252

IUPAC2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one
SMILESCOC1=C(N2CCOCC2)CC(C)CC1=O
InChIInChI=1S/C12H19NO3/c1-9-7-10(12(15-2)11(14)8-9)13-3-5-16-6-4-13/h9H,3-8H2,1-2H3
InChIKeyJVZIZQMSEOYJTE-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.18
Rot. Bonds2

About 2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one

2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one (PubChem CID 121001252) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one
PubChem CID121001252
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one
SMILESCOC1=C(N2CCOCC2)CC(C)CC1=O
InChIInChI=1S/C12H19NO3/c1-9-7-10(12(15-2)11(14)8-9)13-3-5-16-6-4-13/h9H,3-8H2,1-2H3
InChIKeyJVZIZQMSEOYJTE-UHFFFAOYSA-N
XLogP1.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one?
The IUPAC name of 2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one (CID 121001252) is 2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one.
What is the SMILES notation for 2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one?
The canonical SMILES for 2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one is COC1=C(N2CCOCC2)CC(C)CC1=O.
What is the InChIKey of 2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one?
The InChIKey is JVZIZQMSEOYJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-7-10(12(15-2)11(14)8-9)13-3-5-16-6-4-13/h9H,3-8H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one?
2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one has a molecular weight of 225.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-3-morpholin-4-ylcyclohex-2-en-1-one is sourced from PubChem (CID 121001252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).