3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol

C11H13NO2 — CID 144779247

IUPAC3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol
SMILESC=Cc1c(NC)cc(O)c(O)c1C=C
InChIInChI=1S/C11H13NO2/c1-4-7-8(5-2)11(14)10(13)6-9(7)12-3/h4-6,12-14H,1-2H2,3H3
InChIKeyUBTRLHZPNRBYEC-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.43
Rot. Bonds3

About 3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol

3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol (PubChem CID 144779247) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol.

Molecular Properties

Compound Name3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol
PubChem CID144779247
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol
SMILESC=Cc1c(NC)cc(O)c(O)c1C=C
InChIInChI=1S/C11H13NO2/c1-4-7-8(5-2)11(14)10(13)6-9(7)12-3/h4-6,12-14H,1-2H2,3H3
InChIKeyUBTRLHZPNRBYEC-UHFFFAOYSA-N
XLogP2.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol 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

N-[2,3-bis(ethenyl)-4,5-dihydroxyphenyl]-2-methyl-5-nitrosobenzenesulfonamide
CID 144779179
N-[2,3-bis(ethenyl)-4,5-dihydroxyphenyl]-1-ethyl-3-methyl-2,4-dioxopyrimidine-5-sulfonamide
CID 144778812
2,4-difluoro-5-(methylamino)phenol
CID 18457333
3-bromo-4-ethenyl-5-(methylamino)benzoic acid
CID 169191138
2,3-bis(ethenyl)-4,6-dimethylphenol;ethane
CID 144779351
3-bromo-2-ethenyl-N-methyl-5-methylsulfanylaniline
CID 145493342
2-(methylamino)naphthalene-1,4,5,8-tetrol
CID 54175633
5-(methylamino)benzene-1,2,3-triol
CID 18412870
2,4-dimethyl-5-(methylamino)phenol
CID 22942479
2,4,6-tris(ethenyl)benzene-1,3,5-triol
CID 164702069
2-ethenyl-4-methoxy-6-methyl-3-(methylamino)phenol
CID 165100560
4-amino-2,3-bis(ethenyl)-6-methylphenol
CID 163302498

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol?
The IUPAC name of 3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol (CID 144779247) is 3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol.
What is the SMILES notation for 3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol?
The canonical SMILES for 3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol is C=Cc1c(NC)cc(O)c(O)c1C=C.
What is the InChIKey of 3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol?
The InChIKey is UBTRLHZPNRBYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-4-7-8(5-2)11(14)10(13)6-9(7)12-3/h4-6,12-14H,1-2H2,3H3.
What are the key properties of 3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol?
3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol has a molecular weight of 191.23 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-5-(methylamino)benzene-1,2-diol is sourced from PubChem (CID 144779247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).