4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol

C10H14N2O2 — CID 137202429

IUPAC4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol
SMILESCC(=NN(C)C)c1ccc(O)cc1O
InChIInChI=1S/C10H14N2O2/c1-7(11-12(2)3)9-5-4-8(13)6-10(9)14/h4-6,13-14H,1-3H3
InChIKeyOMPQOAIKVQOPOB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.38
Rot. Bonds2

About 4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol

4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol (PubChem CID 137202429) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol
PubChem CID137202429
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol
SMILESCC(=NN(C)C)c1ccc(O)cc1O
InChIInChI=1S/C10H14N2O2/c1-7(11-12(2)3)9-5-4-8(13)6-10(9)14/h4-6,13-14H,1-3H3
InChIKeyOMPQOAIKVQOPOB-UHFFFAOYSA-N
XLogP1.38
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 135858074
1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-methylthiourea
CID 135676243
4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 136734563
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
2-[(E)-N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]benzene-1,4-diol
CID 136980380
4-[(E)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzene-1,3-diol
CID 135612559
4-[N-(2,4-diaminoanilino)-C-methylcarbonimidoyl]benzene-1,3-diol
CID 142674599
2,4-dihydroxybenzoic acid
CID 1491
4-(1-hydroxyethenyl)benzene-1,3-diol
CID 89199480
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol
CID 135589061
1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135643114
4-[C-(2,4-dihydroxyphenyl)-N-(propylamino)carbonimidoyl]benzene-1,3-diol
CID 135495095

Frequently Asked Questions

What is the IUPAC name of 4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol?
The IUPAC name of 4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol (CID 137202429) is 4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol is CC(=NN(C)C)c1ccc(O)cc1O.
What is the InChIKey of 4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol?
The InChIKey is OMPQOAIKVQOPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(11-12(2)3)9-5-4-8(13)6-10(9)14/h4-6,13-14H,1-3H3.
What are the key properties of 4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol?
4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol has a molecular weight of 194.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 137202429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).