carbamoyl benzenecarboximidate

C8H8N2O2 — CID 23175908

IUPACcarbamoyl benzenecarboximidate
SMILES[H]/N=C(\OC(N)=O)c1ccccc1
InChIInChI=1S/C8H8N2O2/c9-7(12-8(10)11)6-4-2-1-3-5-6/h1-5,9H,(H2,10,11)/b9-7-
InChIKeyJQDQLMQJGWWAKZ-CLFYSBASSA-N
MW164.16 g/mol
LogP1.11
Rot. Bonds1

About carbamoyl benzenecarboximidate

carbamoyl benzenecarboximidate (PubChem CID 23175908) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is carbamoyl benzenecarboximidate.

Molecular Properties

Compound Namecarbamoyl benzenecarboximidate
PubChem CID23175908
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Namecarbamoyl benzenecarboximidate
SMILES[H]/N=C(\OC(N)=O)c1ccccc1
InChIInChI=1S/C8H8N2O2/c9-7(12-8(10)11)6-4-2-1-3-5-6/h1-5,9H,(H2,10,11)/b9-7-
InChIKeyJQDQLMQJGWWAKZ-CLFYSBASSA-N
XLogP1.11
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbamoyl benzenecarboximidate?
The IUPAC name of carbamoyl benzenecarboximidate (CID 23175908) is carbamoyl benzenecarboximidate.
What is the SMILES notation for carbamoyl benzenecarboximidate?
The canonical SMILES for carbamoyl benzenecarboximidate is [H]/N=C(\OC(N)=O)c1ccccc1.
What is the InChIKey of carbamoyl benzenecarboximidate?
The InChIKey is JQDQLMQJGWWAKZ-CLFYSBASSA-N. The full InChI is InChI=1S/C8H8N2O2/c9-7(12-8(10)11)6-4-2-1-3-5-6/h1-5,9H,(H2,10,11)/b9-7-.
What are the key properties of carbamoyl benzenecarboximidate?
carbamoyl benzenecarboximidate has a molecular weight of 164.16 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl benzenecarboximidate is sourced from PubChem (CID 23175908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).