ethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate

C8H10N2O3 — CID 5385557

IUPACethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate
SMILESCCOC(=O)/N=c1/ccccn1O
InChIInChI=1S/C8H10N2O3/c1-2-13-8(11)9-7-5-3-4-6-10(7)12/h3-6,12H,2H2,1H3/b9-7-
InChIKeyBWXKVMUBOJICLV-CLFYSBASSA-N
MW182.18 g/mol
LogP0.78
Rot. Bonds1

About ethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate

ethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate (PubChem CID 5385557) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is ethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate
PubChem CID5385557
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Nameethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate
SMILESCCOC(=O)/N=c1/ccccn1O
InChIInChI=1S/C8H10N2O3/c1-2-13-8(11)9-7-5-3-4-6-10(7)12/h3-6,12H,2H2,1H3/b9-7-
InChIKeyBWXKVMUBOJICLV-CLFYSBASSA-N
XLogP0.78
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate?
The IUPAC name of ethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate (CID 5385557) is ethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate.
What is the SMILES notation for ethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate?
The canonical SMILES for ethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate is CCOC(=O)/N=c1/ccccn1O.
What is the InChIKey of ethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate?
The InChIKey is BWXKVMUBOJICLV-CLFYSBASSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-13-8(11)9-7-5-3-4-6-10(7)12/h3-6,12H,2H2,1H3/b9-7-.
What are the key properties of ethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate?
ethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate has a molecular weight of 182.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NZ)-N-(1-hydroxy-2-pyridinylidene)carbamate is sourced from PubChem (CID 5385557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).