3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one

C8H11NO2 — CID 143182657

IUPAC3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one
SMILESCNC1C=CC(=O)C=C1OC
InChIInChI=1S/C8H11NO2/c1-9-7-4-3-6(10)5-8(7)11-2/h3-5,7,9H,1-2H3
InChIKeyAUGJUFGTYIZPBS-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.24
Rot. Bonds2

About 3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one

3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one (PubChem CID 143182657) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one
PubChem CID143182657
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one
SMILESCNC1C=CC(=O)C=C1OC
InChIInChI=1S/C8H11NO2/c1-9-7-4-3-6(10)5-8(7)11-2/h3-5,7,9H,1-2H3
InChIKeyAUGJUFGTYIZPBS-UHFFFAOYSA-N
XLogP0.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Hydroxy-2-[(propan-2-ylamino)methyl]pyran-4-one
CID 130407858
(E)-4-[(3R)-morpholin-3-yl]but-3-en-2-one
CID 118121180
(E)-5-(2-methoxyethylamino)pent-3-en-2-one
CID 135183509
(2-Methoxy-4-oxocyclohexa-2,5-dien-1-yl)-methylazanide
CID 143182656
(2-Methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide
CID 143182814
2-Methyl-6-[1-(methylamino)ethyl]pyran-4-one
CID 171531809
4-[(3R)-morpholin-3-yl]but-3-en-2-one
CID 173583319
(E)-4-morpholin-3-ylbut-3-en-2-one
CID 177231113
ethane;(E)-4-morpholin-3-ylbut-3-en-2-one
CID 177231205
3-Methoxy-2-(methylaminomethyl)pyran-4-one
CID 112712057
4-Amino-3-methoxycyclohexa-2,5-dien-1-one
CID 143182815

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one?
The IUPAC name of 3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one (CID 143182657) is 3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one is CNC1C=CC(=O)C=C1OC.
What is the InChIKey of 3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one?
The InChIKey is AUGJUFGTYIZPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-9-7-4-3-6(10)5-8(7)11-2/h3-5,7,9H,1-2H3.
What are the key properties of 3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one?
3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one has a molecular weight of 153.18 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 143182657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).