(2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one

C10H10BrNO2 — CID 6401003

IUPAC(2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one
SMILESCC/C(=N/O)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO2/c1-2-9(12-14)10(13)7-3-5-8(11)6-4-7/h3-6,14H,2H2,1H3/b12-9-
InChIKeyVPMZKAFOSNHSHL-XFXZXTDPSA-N
MW256.10 g/mol
LogP2.87
Rot. Bonds3

About (2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one

(2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one (PubChem CID 6401003) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one.

Molecular Properties

Compound Name(2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one
PubChem CID6401003
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one
SMILESCC/C(=N/O)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO2/c1-2-9(12-14)10(13)7-3-5-8(11)6-4-7/h3-6,14H,2H2,1H3/b12-9-
InChIKeyVPMZKAFOSNHSHL-XFXZXTDPSA-N
XLogP2.87
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one?
The IUPAC name of (2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one (CID 6401003) is (2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one.
What is the SMILES notation for (2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one?
The canonical SMILES for (2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one is CC/C(=N/O)C(=O)c1ccc(Br)cc1.
What is the InChIKey of (2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one?
The InChIKey is VPMZKAFOSNHSHL-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-2-9(12-14)10(13)7-3-5-8(11)6-4-7/h3-6,14H,2H2,1H3/b12-9-.
What are the key properties of (2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one?
(2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one has a molecular weight of 256.10 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(4-bromophenyl)-2-hydroxyiminobutan-1-one is sourced from PubChem (CID 6401003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).