6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one

C11H15NO2 — CID 175431729

IUPAC6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
SMILESCC1(N2CCOCC2)C=CC=CC1=O
InChIInChI=1S/C11H15NO2/c1-11(5-3-2-4-10(11)13)12-6-8-14-9-7-12/h2-5H,6-9H2,1H3
InChIKeyKUDQWRFAAZYTME-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.77
Rot. Bonds1

About 6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one

6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one (PubChem CID 175431729) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
PubChem CID175431729
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
SMILESCC1(N2CCOCC2)C=CC=CC1=O
InChIInChI=1S/C11H15NO2/c1-11(5-3-2-4-10(11)13)12-6-8-14-9-7-12/h2-5H,6-9H2,1H3
InChIKeyKUDQWRFAAZYTME-UHFFFAOYSA-N
XLogP0.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 66775286
(4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one
CID 88961030
2-Methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylpropan-1-one
CID 117845095
4-Morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 141267365
6-Morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 141431317
1-(5-Morpholin-4-ylcyclohepta-1,3,4,6-tetraen-1-yl)ethanone
CID 142981202
ethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one
CID 144803146
ethane;(4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one
CID 144896585
(3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one
CID 145369355
1-(1-Morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one
CID 156778731
3-Morpholin-4-ylcyclohexa-3,5-diene-1,2-dione
CID 160852428
(E)-2-methyl-6-[(2R)-2-methylmorpholin-4-yl]hept-4-en-3-one
CID 172577032

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The IUPAC name of 6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one (CID 175431729) is 6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one is CC1(N2CCOCC2)C=CC=CC1=O.
What is the InChIKey of 6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The InChIKey is KUDQWRFAAZYTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(5-3-2-4-10(11)13)12-6-8-14-9-7-12/h2-5H,6-9H2,1H3.
What are the key properties of 6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one has a molecular weight of 193.25 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 175431729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).