N-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide

C10H13N3O2 — CID 136620654

IUPACN-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide
SMILESC=C(N)N/C(=N\C)c1ccc(O)cc1O
InChIInChI=1S/C10H13N3O2/c1-6(11)13-10(12-2)8-4-3-7(14)5-9(8)15/h3-5,14-15H,1,11H2,2H3,(H,12,13)
InChIKeyBISBFHZLETYPPM-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.49
Rot. Bonds2

About N-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide

N-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide (PubChem CID 136620654) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide
PubChem CID136620654
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide
SMILESC=C(N)N/C(=N\C)c1ccc(O)cc1O
InChIInChI=1S/C10H13N3O2/c1-6(11)13-10(12-2)8-4-3-7(14)5-9(8)15/h3-5,14-15H,1,11H2,2H3,(H,12,13)
InChIKeyBISBFHZLETYPPM-UHFFFAOYSA-N
XLogP0.49
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(1-hydroxyethenyl)benzene-1,3-diol
CID 89199480
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide
CID 107725624
3-cyano-3-(2,4-dihydroxyphenyl)prop-2-enethioamide
CID 173321767
[[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]thiourea
CID 3958079
4-[N-(2,4-diaminoanilino)-C-methylcarbonimidoyl]benzene-1,3-diol
CID 142674599
4-[N-(dimethylamino)-C-methylcarbonimidoyl]benzene-1,3-diol
CID 137202429
2,4-dihydroxybenzoic acid
CID 1491
4-[C-(2,4-dihydroxyphenyl)-N-(propylamino)carbonimidoyl]benzene-1,3-diol
CID 135495095
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
2-amino-N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 137150949
2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135460269
2-[(E)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135407116

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide?
The IUPAC name of N-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide (CID 136620654) is N-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide.
What is the SMILES notation for N-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide?
The canonical SMILES for N-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide is C=C(N)N/C(=N\C)c1ccc(O)cc1O.
What is the InChIKey of N-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide?
The InChIKey is BISBFHZLETYPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6(11)13-10(12-2)8-4-3-7(14)5-9(8)15/h3-5,14-15H,1,11H2,2H3,(H,12,13).
What are the key properties of N-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide?
N-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide has a molecular weight of 207.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethenyl)-2,4-dihydroxy-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 136620654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).