[(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate

C10H11N3O2 — CID 5349701

IUPAC[(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate
SMILESN/C(=N\OC(=O)C1CC1)c1ccccn1
InChIInChI=1S/C10H11N3O2/c11-9(8-3-1-2-6-12-8)13-15-10(14)7-4-5-7/h1-3,6-7H,4-5H2,(H2,11,13)
InChIKeyGWGHHXDHBQCSTK-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.66
Rot. Bonds3

About [(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate

[(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate (PubChem CID 5349701) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is [(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate
PubChem CID5349701
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name[(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate
SMILESN/C(=N\OC(=O)C1CC1)c1ccccn1
InChIInChI=1S/C10H11N3O2/c11-9(8-3-1-2-6-12-8)13-15-10(14)7-4-5-7/h1-3,6-7H,4-5H2,(H2,11,13)
InChIKeyGWGHHXDHBQCSTK-UHFFFAOYSA-N
XLogP0.66
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[amino(pyridin-2-yl)methylidene]amino] 2-chloroacetate
CID 88937741
N'-trimethylsilyloxypyridine-2-carboximidamide
CID 91699371
pyridin-2-yl cyclopropanecarboxylate
CID 135376948
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674
[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate
CID 2944587
[[amino(pyridin-2-yl)methylidene]amino] 4-phenylbutanoate
CID 2234799
[(Z)-[amino(pyridin-2-yl)methylidene]amino] 2,5-dimethylbenzoate
CID 17380525
[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate
CID 2462291
N'-aminopyridine-2-carboximidamide
CID 5464234
N'-[(1R,2S)-2-aminocyclohexyl]pyridine-2-carboximidamide
CID 141171562
1-O-[(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-O-tert-butyl (2R)-2-(3-cyclohexylpropyl)butanedioate
CID 16748795
1-O-[(Z)-[amino(pyridin-2-yl)methylidene]amino] 4-O-tert-butyl (2S)-2-(3-cyclohexylpropyl)butanedioate
CID 22770799

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate?
The IUPAC name of [(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate (CID 5349701) is [(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate.
What is the SMILES notation for [(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate?
The canonical SMILES for [(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate is N/C(=N\OC(=O)C1CC1)c1ccccn1.
What is the InChIKey of [(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate?
The InChIKey is GWGHHXDHBQCSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-9(8-3-1-2-6-12-8)13-15-10(14)7-4-5-7/h1-3,6-7H,4-5H2,(H2,11,13).
What are the key properties of [(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate?
[(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate has a molecular weight of 205.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate is sourced from PubChem (CID 5349701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).