(1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one

C9H8ClNO2 — CID 131741133

IUPAC(1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one
SMILESCC(=O)/C(=N\O)c1cccc(Cl)c1
InChIInChI=1S/C9H8ClNO2/c1-6(12)9(11-13)7-3-2-4-8(10)5-7/h2-5,13H,1H3/b11-9+
InChIKeyLQFDZAXSPJKIMY-PKNBQFBNSA-N
MW197.62 g/mol
LogP2.11
Rot. Bonds2

About (1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one

(1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one (PubChem CID 131741133) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is (1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one.

Molecular Properties

Compound Name(1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one
PubChem CID131741133
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name(1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one
SMILESCC(=O)/C(=N\O)c1cccc(Cl)c1
InChIInChI=1S/C9H8ClNO2/c1-6(12)9(11-13)7-3-2-4-8(10)5-7/h2-5,13H,1H3/b11-9+
InChIKeyLQFDZAXSPJKIMY-PKNBQFBNSA-N
XLogP2.11
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one?
The IUPAC name of (1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one (CID 131741133) is (1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one.
What is the SMILES notation for (1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one?
The canonical SMILES for (1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one is CC(=O)/C(=N\O)c1cccc(Cl)c1.
What is the InChIKey of (1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one?
The InChIKey is LQFDZAXSPJKIMY-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-6(12)9(11-13)7-3-2-4-8(10)5-7/h2-5,13H,1H3/b11-9+.
What are the key properties of (1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one?
(1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one has a molecular weight of 197.62 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(3-chlorophenyl)-1-hydroxyiminopropan-2-one is sourced from PubChem (CID 131741133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).