(1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride

C9H10ClNO2 — CID 137265557

IUPAC(1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride
SMILESCc1cc(/C(Cl)=N/O)cc(C)c1O
InChIInChI=1S/C9H10ClNO2/c1-5-3-7(9(10)11-13)4-6(2)8(5)12/h3-4,12-13H,1-2H3/b11-9-
InChIKeyYSMZSOHLOYIELM-LUAWRHEFSA-N
MW199.64 g/mol
LogP2.38
Rot. Bonds1

About (1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride

(1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride (PubChem CID 137265557) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is (1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride
PubChem CID137265557
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name(1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride
SMILESCc1cc(/C(Cl)=N/O)cc(C)c1O
InChIInChI=1S/C9H10ClNO2/c1-5-3-7(9(10)11-13)4-6(2)8(5)12/h3-4,12-13H,1-2H3/b11-9-
InChIKeyYSMZSOHLOYIELM-LUAWRHEFSA-N
XLogP2.38
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride (CID 137265557) is (1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride is Cc1cc(/C(Cl)=N/O)cc(C)c1O.
What is the InChIKey of (1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride?
The InChIKey is YSMZSOHLOYIELM-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-5-3-7(9(10)11-13)4-6(2)8(5)12/h3-4,12-13H,1-2H3/b11-9-.
What are the key properties of (1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride?
(1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride has a molecular weight of 199.64 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,4-dihydroxy-3,5-dimethylbenzenecarboximidoyl chloride is sourced from PubChem (CID 137265557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).