N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide

C13H16N2O3 — CID 6907928

IUPACN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCOc1cccc(/C=N/NC(=O)C2CC2)c1OC
InChIInChI=1S/C13H16N2O3/c1-17-11-5-3-4-10(12(11)18-2)8-14-15-13(16)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)/b14-8+
InChIKeyMYKNNWAHDIVVEC-RIYZIHGNSA-N
MW248.28 g/mol
LogP1.56
Rot. Bonds5

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

N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 6907928) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID6907928
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCOc1cccc(/C=N/NC(=O)C2CC2)c1OC
InChIInChI=1S/C13H16N2O3/c1-17-11-5-3-4-10(12(11)18-2)8-14-15-13(16)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)/b14-8+
InChIKeyMYKNNWAHDIVVEC-RIYZIHGNSA-N
XLogP1.56
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide
CID 923591
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 135532188
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126013779
N-[(Z)-naphthalen-1-ylmethylideneamino]cyclopropanecarboxamide
CID 5420009
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 2866348
(3R,4R)-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 7332730
4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 6868928
N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 24819076
[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474234
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907933
N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2693831

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide (CID 6907928) is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide is COc1cccc(/C=N/NC(=O)C2CC2)c1OC.
What is the InChIKey of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is MYKNNWAHDIVVEC-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-11-5-3-4-10(12(11)18-2)8-14-15-13(16)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)/b14-8+.
What are the key properties of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide?
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 6907928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).