N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide

C11H12N2O3 — CID 2693831

IUPACN-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(NN=Cc1cccc(O)c1O)C1CC1
InChIInChI=1S/C11H12N2O3/c14-9-3-1-2-8(10(9)15)6-12-13-11(16)7-4-5-7/h1-3,6-7,14-15H,4-5H2,(H,13,16)
InChIKeyLYBHMWGZGKBEIW-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.96
Rot. Bonds3

About N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide

N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 2693831) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID2693831
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(NN=Cc1cccc(O)c1O)C1CC1
InChIInChI=1S/C11H12N2O3/c14-9-3-1-2-8(10(9)15)6-12-13-11(16)7-4-5-7/h1-3,6-7,14-15H,4-5H2,(H,13,16)
InChIKeyLYBHMWGZGKBEIW-UHFFFAOYSA-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_A(479)', '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

1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
CID 135977022
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135403161
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576
N-[(Z)-naphthalen-1-ylmethylideneamino]cyclopropanecarboxamide
CID 5420009
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide
CID 923591
N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907933
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 135532188
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907928
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5420026
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide
CID 135615209
1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 135883000

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide (CID 2693831) is N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide is O=C(NN=Cc1cccc(O)c1O)C1CC1.
What is the InChIKey of N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is LYBHMWGZGKBEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-9-3-1-2-8(10(9)15)6-12-13-11(16)7-4-5-7/h1-3,6-7,14-15H,4-5H2,(H,13,16).
What are the key properties of N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide?
N-[(2,3-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-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 2693831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).