[(Z)-pyridin-2-ylmethylideneamino] carbamate

C7H7N3O2 — CID 5381364

IUPAC[(Z)-pyridin-2-ylmethylideneamino] carbamate
SMILESNC(=O)O/N=C\c1ccccn1
InChIInChI=1S/C7H7N3O2/c8-7(11)12-10-5-6-3-1-2-4-9-6/h1-5H,(H2,8,11)/b10-5-
InChIKeyVMTKURJQTLNQQJ-YHYXMXQVSA-N
MW165.15 g/mol
LogP0.51
Rot. Bonds2

About [(Z)-pyridin-2-ylmethylideneamino] carbamate

[(Z)-pyridin-2-ylmethylideneamino] carbamate (PubChem CID 5381364) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is [(Z)-pyridin-2-ylmethylideneamino] carbamate.

Molecular Properties

Compound Name[(Z)-pyridin-2-ylmethylideneamino] carbamate
PubChem CID5381364
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name[(Z)-pyridin-2-ylmethylideneamino] carbamate
SMILESNC(=O)O/N=C\c1ccccn1
InChIInChI=1S/C7H7N3O2/c8-7(11)12-10-5-6-3-1-2-4-9-6/h1-5H,(H2,8,11)/b10-5-
InChIKeyVMTKURJQTLNQQJ-YHYXMXQVSA-N
XLogP0.51
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N-phenoxy-1-pyridin-2-ylmethanimine
CID 54492053
N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine
CID 141131461
N'-[(E)-pyridin-2-ylmethylideneamino]carbamimidoselenoate
CID 54577616
[(Z)-pyridin-2-ylmethylideneamino]thiourea
CID 5354113
bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
CID 71620227
4-pyridin-2-ylbut-3-enamide
CID 170797301
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
1,2-bis(pyridin-2-ylmethylideneamino)guanidine
CID 53440400
ethyl (E)-2-amino-3-pyridin-2-ylprop-2-enoate
CID 134275499
N-tert-butyl-1-pyridin-2-ylmethanimine
CID 11389570
N-propyl-1-pyridin-2-ylmethanimine
CID 11205848

Frequently Asked Questions

What is the IUPAC name of [(Z)-pyridin-2-ylmethylideneamino] carbamate?
The IUPAC name of [(Z)-pyridin-2-ylmethylideneamino] carbamate (CID 5381364) is [(Z)-pyridin-2-ylmethylideneamino] carbamate.
What is the SMILES notation for [(Z)-pyridin-2-ylmethylideneamino] carbamate?
The canonical SMILES for [(Z)-pyridin-2-ylmethylideneamino] carbamate is NC(=O)O/N=C\c1ccccn1.
What is the InChIKey of [(Z)-pyridin-2-ylmethylideneamino] carbamate?
The InChIKey is VMTKURJQTLNQQJ-YHYXMXQVSA-N. The full InChI is InChI=1S/C7H7N3O2/c8-7(11)12-10-5-6-3-1-2-4-9-6/h1-5H,(H2,8,11)/b10-5-.
What are the key properties of [(Z)-pyridin-2-ylmethylideneamino] carbamate?
[(Z)-pyridin-2-ylmethylideneamino] carbamate has a molecular weight of 165.15 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-pyridin-2-ylmethylideneamino] carbamate is sourced from PubChem (CID 5381364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).