2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol

C13H17NO3 — CID 123535724

IUPAC2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol
SMILESC=c1cc(O)c(=CN2CCOCC2)c(C)c1O
InChIInChI=1S/C13H17NO3/c1-9-7-12(15)11(10(2)13(9)16)8-14-3-5-17-6-4-14/h7-8,15-16H,1,3-6H2,2H3
InChIKeyHNUMLLJVUPTPON-UHFFFAOYSA-N
MW235.28 g/mol
LogP-0.11
Rot. Bonds1

About 2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol

2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol (PubChem CID 123535724) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol.

Molecular Properties

Compound Name2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol
PubChem CID123535724
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol
SMILESC=c1cc(O)c(=CN2CCOCC2)c(C)c1O
InChIInChI=1S/C13H17NO3/c1-9-7-12(15)11(10(2)13(9)16)8-14-3-5-17-6-4-14/h7-8,15-16H,1,3-6H2,2H3
InChIKeyHNUMLLJVUPTPON-UHFFFAOYSA-N
XLogP-0.11
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol?
The IUPAC name of 2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol (CID 123535724) is 2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol.
What is the SMILES notation for 2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol?
The canonical SMILES for 2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol is C=c1cc(O)c(=CN2CCOCC2)c(C)c1O.
What is the InChIKey of 2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol?
The InChIKey is HNUMLLJVUPTPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-7-12(15)11(10(2)13(9)16)8-14-3-5-17-6-4-14/h7-8,15-16H,1,3-6H2,2H3.
What are the key properties of 2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol?
2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol has a molecular weight of 235.28 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylidene-3-(morpholin-4-ylmethylidene)cyclohexa-1,4-diene-1,4-diol is sourced from PubChem (CID 123535724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).