4-ethyl-N'-hydroxybenzenecarboximidamide

C9H12N2O — CID 7364001

IUPAC4-ethyl-N'-hydroxybenzenecarboximidamide
SMILESCCc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C9H12N2O/c1-2-7-3-5-8(6-4-7)9(10)11-12/h3-6,12H,2H2,1H3,(H2,10,11)
InChIKeyRSGJHKJTRAXLPF-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.34
Rot. Bonds2

About 4-ethyl-N'-hydroxybenzenecarboximidamide

4-ethyl-N'-hydroxybenzenecarboximidamide (PubChem CID 7364001) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-ethyl-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-ethyl-N'-hydroxybenzenecarboximidamide
PubChem CID7364001
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-ethyl-N'-hydroxybenzenecarboximidamide
SMILESCCc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C9H12N2O/c1-2-7-3-5-8(6-4-7)9(10)11-12/h3-6,12H,2H2,1H3,(H2,10,11)
InChIKeyRSGJHKJTRAXLPF-UHFFFAOYSA-N
XLogP1.34
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 4-ethyl-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-ethyl-N'-hydroxybenzenecarboximidamide (CID 7364001) is 4-ethyl-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-ethyl-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-ethyl-N'-hydroxybenzenecarboximidamide is CCc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-ethyl-N'-hydroxybenzenecarboximidamide?
The InChIKey is RSGJHKJTRAXLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-7-3-5-8(6-4-7)9(10)11-12/h3-6,12H,2H2,1H3,(H2,10,11).
What are the key properties of 4-ethyl-N'-hydroxybenzenecarboximidamide?
4-ethyl-N'-hydroxybenzenecarboximidamide has a molecular weight of 164.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 7364001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).