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

C11H12BrNO — CID 170497535

IUPACN-[[2-(4-bromobut-1-enyl)phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccccc1C=CCCBr
InChIInChI=1S/C11H12BrNO/c12-8-4-3-6-10-5-1-2-7-11(10)9-13-14/h1-3,5-7,9,14H,4,8H2
InChIKeyYXAHGIVIGWJODU-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.29
Rot. Bonds4

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

N-[[2-(4-bromobut-1-enyl)phenyl]methylidene]hydroxylamine (PubChem CID 170497535) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is N-[[2-(4-bromobut-1-enyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-(4-bromobut-1-enyl)phenyl]methylidene]hydroxylamine
PubChem CID170497535
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC NameN-[[2-(4-bromobut-1-enyl)phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccccc1C=CCCBr
InChIInChI=1S/C11H12BrNO/c12-8-4-3-6-10-5-1-2-7-11(10)9-13-14/h1-3,5-7,9,14H,4,8H2
InChIKeyYXAHGIVIGWJODU-UHFFFAOYSA-N
XLogP3.29
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.29
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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Related Compounds

N-[[2-(4-chlorobut-1-enyl)phenyl]methylidene]hydroxylamine
CID 170499230
N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine
CID 170495845
2-(4-bromobut-1-enyl)benzenethiol
CID 170496899
(NE)-N-[[2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
CID 15033296
1-(4-bromobut-1-enyl)-2-ethylbenzene
CID 170497012
2-(4-bromobut-1-enyl)benzenesulfonic acid
CID 170498536
3-[2-(hydroxyiminomethyl)phenyl]prop-2-enal
CID 169459162
4-bromo-1-[2-(hydroxyiminomethyl)phenyl]butane-1,2-diol
CID 171892121
(NZ)-N-[(2-bromophenyl)methylidene]hydroxylamine
CID 5399039
N-[(2-bromophenyl)methylidene]hydroxylamine
CID 736214
2-(4-bromobut-1-enyl)-6-hydroxybenzaldehyde
CID 170497308
1-[(E)-4-bromobut-1-enyl]-2-(2-methoxyethoxy)benzene
CID 104663298

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromobut-1-enyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-(4-bromobut-1-enyl)phenyl]methylidene]hydroxylamine (CID 170497535) is N-[[2-(4-bromobut-1-enyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-(4-bromobut-1-enyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-(4-bromobut-1-enyl)phenyl]methylidene]hydroxylamine is ON=Cc1ccccc1C=CCCBr.
What is the InChIKey of N-[[2-(4-bromobut-1-enyl)phenyl]methylidene]hydroxylamine?
The InChIKey is YXAHGIVIGWJODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/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-bromobut-1-enyl)phenyl]methylidene]hydroxylamine?
N-[[2-(4-bromobut-1-enyl)phenyl]methylidene]hydroxylamine has a molecular weight of 254.13 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromobut-1-enyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 170497535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).