ethyl (Z)-N-acetylbenzenecarbohydrazonate

C11H14N2O2 — CID 12520823

IUPACethyl (Z)-N-acetylbenzenecarbohydrazonate
SMILESCCO/C(=N\NC(C)=O)c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-3-15-11(13-12-9(2)14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,12,14)/b13-11-
InChIKeyCMDNPTOYKPNTTK-QBFSEMIESA-N
MW206.25 g/mol
LogP1.52
Rot. Bonds3

About ethyl (Z)-N-acetylbenzenecarbohydrazonate

ethyl (Z)-N-acetylbenzenecarbohydrazonate (PubChem CID 12520823) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is ethyl (Z)-N-acetylbenzenecarbohydrazonate.

Molecular Properties

Compound Nameethyl (Z)-N-acetylbenzenecarbohydrazonate
PubChem CID12520823
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Nameethyl (Z)-N-acetylbenzenecarbohydrazonate
SMILESCCO/C(=N\NC(C)=O)c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-3-15-11(13-12-9(2)14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,12,14)/b13-11-
InChIKeyCMDNPTOYKPNTTK-QBFSEMIESA-N
XLogP1.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-N-acetylbenzenecarbohydrazonate?
The IUPAC name of ethyl (Z)-N-acetylbenzenecarbohydrazonate (CID 12520823) is ethyl (Z)-N-acetylbenzenecarbohydrazonate.
What is the SMILES notation for ethyl (Z)-N-acetylbenzenecarbohydrazonate?
The canonical SMILES for ethyl (Z)-N-acetylbenzenecarbohydrazonate is CCO/C(=N\NC(C)=O)c1ccccc1.
What is the InChIKey of ethyl (Z)-N-acetylbenzenecarbohydrazonate?
The InChIKey is CMDNPTOYKPNTTK-QBFSEMIESA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-15-11(13-12-9(2)14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,12,14)/b13-11-.
What are the key properties of ethyl (Z)-N-acetylbenzenecarbohydrazonate?
ethyl (Z)-N-acetylbenzenecarbohydrazonate has a molecular weight of 206.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-N-acetylbenzenecarbohydrazonate is sourced from PubChem (CID 12520823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).