N-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine

C10H9Br2NO — CID 87569614

IUPACN-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(C=C(Br)Br)cc1
InChIInChI=1S/C10H9Br2NO/c1-7(13-14)9-4-2-8(3-5-9)6-10(11)12/h2-6,14H,1H3
InChIKeySPNRWAGYWLADDP-UHFFFAOYSA-N
MW319.00 g/mol
LogP3.97
Rot. Bonds2

About N-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine

N-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine (PubChem CID 87569614) has the molecular formula C10H9Br2NO and a molecular weight of 319.00 g/mol. Its IUPAC name is N-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine
PubChem CID87569614
Molecular FormulaC10H9Br2NO
Molecular Weight319.00 g/mol
Exact Mass316.91
IUPAC NameN-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(C=C(Br)Br)cc1
InChIInChI=1S/C10H9Br2NO/c1-7(13-14)9-4-2-8(3-5-9)6-10(11)12/h2-6,14H,1H3
InChIKeySPNRWAGYWLADDP-UHFFFAOYSA-N
XLogP3.97
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.00
LogP ≤ 53.97
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-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine (CID 87569614) is N-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine is CC(=NO)c1ccc(C=C(Br)Br)cc1.
What is the InChIKey of N-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine?
The InChIKey is SPNRWAGYWLADDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO/c1-7(13-14)9-4-2-8(3-5-9)6-10(11)12/h2-6,14H,1H3.
What are the key properties of N-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine?
N-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine has a molecular weight of 319.00 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,2-dibromoethenyl)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 87569614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).