4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one

C13H21NO2 — CID 57208953

IUPAC4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
SMILESCC1(C)C=CC(=O)C(CN2CCOCC2)C1
InChIInChI=1S/C13H21NO2/c1-13(2)4-3-12(15)11(9-13)10-14-5-7-16-8-6-14/h3-4,11H,5-10H2,1-2H3
InChIKeyRURXQVBLQIUODH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.49
Rot. Bonds2

About 4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one

4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one (PubChem CID 57208953) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
PubChem CID57208953
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
SMILESCC1(C)C=CC(=O)C(CN2CCOCC2)C1
InChIInChI=1S/C13H21NO2/c1-13(2)4-3-12(15)11(9-13)10-14-5-7-16-8-6-14/h3-4,11H,5-10H2,1-2H3
InChIKeyRURXQVBLQIUODH-UHFFFAOYSA-N
XLogP1.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
The IUPAC name of 4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one (CID 57208953) is 4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
The canonical SMILES for 4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one is CC1(C)C=CC(=O)C(CN2CCOCC2)C1.
What is the InChIKey of 4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
The InChIKey is RURXQVBLQIUODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2)4-3-12(15)11(9-13)10-14-5-7-16-8-6-14/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one has a molecular weight of 223.32 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 57208953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).