N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide

C11H12N2O3 — CID 135543352

IUPACN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C/c1ccc(O)c(O)c1)C1CC1
InChIInChI=1S/C11H12N2O3/c14-9-4-1-7(5-10(9)15)6-12-13-11(16)8-2-3-8/h1,4-6,8,14-15H,2-3H2,(H,13,16)/b12-6+
InChIKeyZSSVKFOLSLDMLE-WUXMJOGZSA-N
MW220.23 g/mol
LogP0.96
Rot. Bonds3

About N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide

N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 135543352) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID135543352
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C/c1ccc(O)c(O)c1)C1CC1
InChIInChI=1S/C11H12N2O3/c14-9-4-1-7(5-10(9)15)6-12-13-11(16)8-2-3-8/h1,4-6,8,14-15H,2-3H2,(H,13,16)/b12-6+
InChIKeyZSSVKFOLSLDMLE-WUXMJOGZSA-N
XLogP0.96
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

N'',N'''-Bis[(E)-1-(3,4-dihydroxyphenyl)methylidene]carbonic dihydrazide
CID 135420153
N'-(2,4-dihydroxybenzylidene)cyclopropanecarbohydrazide
CID 135643065
1-(2,3-Dihydroxybenzylidene)semicarbazide
CID 135452528
N-[(2-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 251902
N'-(4-hydroxybenzylidene)-3-methylenecyclobutanecarbohydrazide
CID 135521404
(N''1E,N''2E)-N''1,N''2-bis(3,4-dihydroxybenzylidene)oxalohydrazide
CID 135607310
[2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 156011683
2-hydroxy-N'-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide
CID 135435759
N'-[(E)-(2,3-dihydroxyphenyl)methylidene]acetohydrazide
CID 135657776
Cyanoacetic acid (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135520643
Nsc216984
CID 135491260
3-cyclopropyl-4-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one
CID 135425316

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide (CID 135543352) is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide is O=C(N/N=C/c1ccc(O)c(O)c1)C1CC1.
What is the InChIKey of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is ZSSVKFOLSLDMLE-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-9-4-1-7(5-10(9)15)6-12-13-11(16)8-2-3-8/h1,4-6,8,14-15H,2-3H2,(H,13,16)/b12-6+.
What are the key properties of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide?
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 135543352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).