N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine

C11H12ClNO — CID 170499230

IUPACN-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccccc1C=CCCCl
InChIInChI=1S/C11H12ClNO/c12-8-4-3-6-10-5-1-2-7-11(10)9-13-14/h1-3,5-7,9,14H,4,8H2
InChIKeyRCQMSKWHSJDZGE-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.14
Rot. Bonds4

About N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine

N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine (PubChem CID 170499230) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine
PubChem CID170499230
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC NameN-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccccc1C=CCCCl
InChIInChI=1S/C11H12ClNO/c12-8-4-3-6-10-5-1-2-7-11(10)9-13-14/h1-3,5-7,9,14H,4,8H2
InChIKeyRCQMSKWHSJDZGE-UHFFFAOYSA-N
XLogP3.14
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine (CID 170499230) is N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine is ON=Cc1ccccc1C=CCCCl.
What is the InChIKey of N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine?
The InChIKey is RCQMSKWHSJDZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-8-4-3-6-10-5-1-2-7-11(10)9-13-14/h1-3,5-7,9,14H,4,8H2.
What are the key properties of N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine?
N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine has a molecular weight of 209.68 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 170499230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).