(4-methoxyphenyl) N'-hydroxycarbamimidate

C8H10N2O3 — CID 71376980

IUPAC(4-methoxyphenyl) N'-hydroxycarbamimidate
SMILESCOc1ccc(OC(N)=NO)cc1
InChIInChI=1S/C8H10N2O3/c1-12-6-2-4-7(5-3-6)13-8(9)10-11/h2-5,11H,1H3,(H2,9,10)
InChIKeyQMWKBVBJLBDXPK-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.78
Rot. Bonds2

About (4-methoxyphenyl) N'-hydroxycarbamimidate

(4-methoxyphenyl) N'-hydroxycarbamimidate (PubChem CID 71376980) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (4-methoxyphenyl) N'-hydroxycarbamimidate.

Molecular Properties

Compound Name(4-methoxyphenyl) N'-hydroxycarbamimidate
PubChem CID71376980
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(4-methoxyphenyl) N'-hydroxycarbamimidate
SMILESCOc1ccc(OC(N)=NO)cc1
InChIInChI=1S/C8H10N2O3/c1-12-6-2-4-7(5-3-6)13-8(9)10-11/h2-5,11H,1H3,(H2,9,10)
InChIKeyQMWKBVBJLBDXPK-UHFFFAOYSA-N
XLogP0.78
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide
CID 87537496
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine
CID 62482698
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 83385991
N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide
CID 154186935
4-methoxy-N'-(methylamino)benzenecarboximidamide
CID 88906808
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 89106310
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N'-hydroxycarbamimidate?
The IUPAC name of (4-methoxyphenyl) N'-hydroxycarbamimidate (CID 71376980) is (4-methoxyphenyl) N'-hydroxycarbamimidate.
What is the SMILES notation for (4-methoxyphenyl) N'-hydroxycarbamimidate?
The canonical SMILES for (4-methoxyphenyl) N'-hydroxycarbamimidate is COc1ccc(OC(N)=NO)cc1.
What is the InChIKey of (4-methoxyphenyl) N'-hydroxycarbamimidate?
The InChIKey is QMWKBVBJLBDXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-12-6-2-4-7(5-3-6)13-8(9)10-11/h2-5,11H,1H3,(H2,9,10).
What are the key properties of (4-methoxyphenyl) N'-hydroxycarbamimidate?
(4-methoxyphenyl) N'-hydroxycarbamimidate has a molecular weight of 182.18 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N'-hydroxycarbamimidate is sourced from PubChem (CID 71376980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).