4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol

C10H13NO3 — CID 137214322

IUPAC4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol
SMILESCCON=C(C)c1ccc(O)c(O)c1
InChIInChI=1S/C10H13NO3/c1-3-14-11-7(2)8-4-5-9(12)10(13)6-8/h4-6,12-13H,3H2,1-2H3
InChIKeyWCBVVTCXZLTSTI-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.86
Rot. Bonds3

About 4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol

4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol (PubChem CID 137214322) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol
PubChem CID137214322
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol
SMILESCCON=C(C)c1ccc(O)c(O)c1
InChIInChI=1S/C10H13NO3/c1-3-14-11-7(2)8-4-5-9(12)10(13)6-8/h4-6,12-13H,3H2,1-2H3
InChIKeyWCBVVTCXZLTSTI-UHFFFAOYSA-N
XLogP1.86
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol
CID 136994688
(E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine
CID 20782602
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776
(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine
CID 23568826
N-ethoxy-1-(4-nitrophenyl)ethanimine
CID 75864218
N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine
CID 87718779
4-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,2-diol
CID 137317837
2-[(E)-1-(3,4-dihydroxyphenyl)ethylideneamino]guanidine
CID 135475507
(2S)-2-amino-1-[4-[(E)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-4-methylpentan-3-one
CID 162697786
(E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine
CID 89246077
4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol
CID 136991359
2-amino-1-[4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]pentan-3-one
CID 145131332

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol?
The IUPAC name of 4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol (CID 137214322) is 4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol.
What is the SMILES notation for 4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol?
The canonical SMILES for 4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol is CCON=C(C)c1ccc(O)c(O)c1.
What is the InChIKey of 4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol?
The InChIKey is WCBVVTCXZLTSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-14-11-7(2)8-4-5-9(12)10(13)6-8/h4-6,12-13H,3H2,1-2H3.
What are the key properties of 4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol?
4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol has a molecular weight of 195.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol is sourced from PubChem (CID 137214322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).