N-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine

C11H12ClNO — CID 2825138

IUPACN-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
SMILESCC(=Cc1ccc(Cl)cc1)C(C)=NO
InChIInChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,14H,1-2H3
InChIKeyMHTJEUOFLVQMCL-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.59
Rot. Bonds2

About N-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine

N-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine (PubChem CID 2825138) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
PubChem CID2825138
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC NameN-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
SMILESCC(=Cc1ccc(Cl)cc1)C(C)=NO
InChIInChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,14H,1-2H3
InChIKeyMHTJEUOFLVQMCL-UHFFFAOYSA-N
XLogP3.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine?
The IUPAC name of N-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine (CID 2825138) is N-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for N-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine is CC(=Cc1ccc(Cl)cc1)C(C)=NO.
What is the InChIKey of N-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine?
The InChIKey is MHTJEUOFLVQMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,14H,1-2H3.
What are the key properties of N-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine?
N-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine has a molecular weight of 209.68 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 2825138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).