N-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine

C15H11NO — CID 72747163

IUPACN-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine
SMILESON=Cc1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C15H11NO/c17-16-12-15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11-12,17H
InChIKeyUDLWWBMBUQFNCM-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.89
Rot. Bonds1

About N-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine

N-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine (PubChem CID 72747163) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine
PubChem CID72747163
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC NameN-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine
SMILESON=Cc1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C15H11NO/c17-16-12-15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11-12,17H
InChIKeyUDLWWBMBUQFNCM-UHFFFAOYSA-N
XLogP2.89
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.89
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[[3-(2-naphthalen-2-ylethynyl)phenyl]methylidene]hydroxylamine
CID 15181387
(NE)-N-[[3-[2-(4-methoxyphenyl)ethynyl]phenyl]methylidene]hydroxylamine
CID 15181398
4-[3-(hydroxyiminomethyl)phenyl]but-3-ynenitrile
CID 170474896
methyl 4-[3-(hydroxyiminomethyl)phenyl]but-3-ynoate
CID 170469560
ethyl 4-[3-(hydroxyiminomethyl)phenyl]but-3-ynoate
CID 170471344
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
N-benzylidenehydroxylamine;ethane
CID 90698406
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]benzaldehyde
CID 163197805
(NE)-N-[[5-methoxy-2-(2-phenylethynyl)phenyl]methylidene]hydroxylamine
CID 138968112
[4-benzylidene-2,3-bis(2-phenylethynyl)cyclobut-2-en-1-ylidene]methylbenzene
CID 135017788
N-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine
CID 71440987

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine (CID 72747163) is N-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine is ON=Cc1cccc(C#Cc2ccccc2)c1.
What is the InChIKey of N-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine?
The InChIKey is UDLWWBMBUQFNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-16-12-15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11-12,17H.
What are the key properties of N-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine?
N-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine has a molecular weight of 221.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 72747163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).