N-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine

C8H7Cl2NO — CID 3023032

IUPACN-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cccc(Cl)c1Cl
InChIInChI=1S/C8H7Cl2NO/c1-5(11-12)6-3-2-4-7(9)8(6)10/h2-4,12H,1H3
InChIKeyRZRLUSUIHLPOJK-UHFFFAOYSA-N
MW204.06 g/mol
LogP3.19
Rot. Bonds1

About N-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine

N-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine (PubChem CID 3023032) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is N-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine
PubChem CID3023032
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC NameN-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cccc(Cl)c1Cl
InChIInChI=1S/C8H7Cl2NO/c1-5(11-12)6-3-2-4-7(9)8(6)10/h2-4,12H,1H3
InChIKeyRZRLUSUIHLPOJK-UHFFFAOYSA-N
XLogP3.19
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

1-(4-Chlorophenyl)-1-ethanone oxime
CID 5399157
1-(2,4-Dichlorophenyl)ethanone oxime
CID 5702798
1-(3,4-Dichlorophenyl)ethan-1-one oxime
CID 9582239
Acetophenone, 4'-chloro-, oxime
CID 5462557
p-Chloroacetophenone oxime
CID 96172
N-[(2,3-dichlorophenyl)methylidene]hydroxylamine
CID 718876
2-Chloro-N-hydroxybenzenecarboximidoyl chloride
CID 3809733
(NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine
CID 70695869
(NE)-N-[(E)-1-(3-chloro-4-fluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
CID 44135992
(NE)-N-[(E)-4-(3-chlorophenyl)but-3-en-2-ylidene]hydroxylamine
CID 12373122
(NZ)-N-[(E)-4-(3-chlorophenyl)but-3-en-2-ylidene]hydroxylamine
CID 12373123
(NE)-N-[(E)-4-(2-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
CID 46224999

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine (CID 3023032) is N-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine is CC(=NO)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine?
The InChIKey is RZRLUSUIHLPOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c1-5(11-12)6-3-2-4-7(9)8(6)10/h2-4,12H,1H3.
What are the key properties of N-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine?
N-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine has a molecular weight of 204.06 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dichlorophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 3023032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).