N-(5-phenylpent-4-ynylidene)hydroxylamine

C11H11NO — CID 168876172

IUPACN-(5-phenylpent-4-ynylidene)hydroxylamine
SMILESON=CCCC#Cc1ccccc1
InChIInChI=1S/C11H11NO/c13-12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,10,13H,2,6H2
InChIKeyHIFAEEFOVRXZJK-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.28
Rot. Bonds2

About N-(5-phenylpent-4-ynylidene)hydroxylamine

N-(5-phenylpent-4-ynylidene)hydroxylamine (PubChem CID 168876172) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is N-(5-phenylpent-4-ynylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5-phenylpent-4-ynylidene)hydroxylamine
PubChem CID168876172
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC NameN-(5-phenylpent-4-ynylidene)hydroxylamine
SMILESON=CCCC#Cc1ccccc1
InChIInChI=1S/C11H11NO/c13-12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,10,13H,2,6H2
InChIKeyHIFAEEFOVRXZJK-UHFFFAOYSA-N
XLogP2.28
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-(4-nitrophenyl)hex-5-ynylidene]hydroxylamine
CID 75041346
4-phenylbut-3-yne-1-thiol
CID 12602832
1,4-bis(3-phenylprop-2-ynyl)piperazine-1,4-diium
CID 3588266
4-azidobut-1-ynylbenzene
CID 15806508
6-bromohex-1-ynylbenzene
CID 10728550
7-phenylhept-6-yn-2-one
CID 11084575
tridec-1-ynylbenzene
CID 19991064
deca-1,9-diynylbenzene
CID 86004260
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
(E)-2-methyl-N-(2-methylpropyl)-7-phenylhept-2-en-6-ynamide
CID 70372065
2-bromo-N-(2-methylpropyl)-7-phenylhept-2-en-6-ynamide
CID 54064104
diethoxy(4-phenylbut-3-ynyl)silane
CID 123394043

Frequently Asked Questions

What is the IUPAC name of N-(5-phenylpent-4-ynylidene)hydroxylamine?
The IUPAC name of N-(5-phenylpent-4-ynylidene)hydroxylamine (CID 168876172) is N-(5-phenylpent-4-ynylidene)hydroxylamine.
What is the SMILES notation for N-(5-phenylpent-4-ynylidene)hydroxylamine?
The canonical SMILES for N-(5-phenylpent-4-ynylidene)hydroxylamine is ON=CCCC#Cc1ccccc1.
What is the InChIKey of N-(5-phenylpent-4-ynylidene)hydroxylamine?
The InChIKey is HIFAEEFOVRXZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,10,13H,2,6H2.
What are the key properties of N-(5-phenylpent-4-ynylidene)hydroxylamine?
N-(5-phenylpent-4-ynylidene)hydroxylamine has a molecular weight of 173.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenylpent-4-ynylidene)hydroxylamine is sourced from PubChem (CID 168876172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).