N'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide

C11H14N2O2 — CID 58538550

IUPACN'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide
SMILESCC1(c2ccc(/C(N)=N/O)cc2)COC1
InChIInChI=1S/C11H14N2O2/c1-11(6-15-7-11)9-4-2-8(3-5-9)10(12)13-14/h2-5,14H,6-7H2,1H3,(H2,12,13)
InChIKeyRESGFIQCCUWRKL-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.07
Rot. Bonds2

About N'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide

N'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide (PubChem CID 58538550) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide
PubChem CID58538550
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide
SMILESCC1(c2ccc(/C(N)=N/O)cc2)COC1
InChIInChI=1S/C11H14N2O2/c1-11(6-15-7-11)9-4-2-8(3-5-9)10(12)13-14/h2-5,14H,6-7H2,1H3,(H2,12,13)
InChIKeyRESGFIQCCUWRKL-UHFFFAOYSA-N
XLogP1.07
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.07
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'}, {'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 N'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide (CID 58538550) is N'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide is CC1(c2ccc(/C(N)=N/O)cc2)COC1.
What is the InChIKey of N'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide?
The InChIKey is RESGFIQCCUWRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(6-15-7-11)9-4-2-8(3-5-9)10(12)13-14/h2-5,14H,6-7H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide?
N'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide has a molecular weight of 206.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methyloxetan-3-yl)benzenecarboximidamide is sourced from PubChem (CID 58538550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).