(NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine

C10H9NO — CID 10920802

IUPAC(NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine
SMILESC/C(C#Cc1ccccc1)=N\O
InChIInChI=1S/C10H9NO/c1-9(11-12)7-8-10-5-3-2-4-6-10/h2-6,12H,1H3/b11-9+
InChIKeyMFLJFLCEDFIGQJ-PKNBQFBNSA-N
MW159.19 g/mol
LogP1.89
Rot. Bonds

About (NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine

(NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine (PubChem CID 10920802) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is (NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine
PubChem CID10920802
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name(NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine
SMILESC/C(C#Cc1ccccc1)=N\O
InChIInChI=1S/C10H9NO/c1-9(11-12)7-8-10-5-3-2-4-6-10/h2-6,12H,1H3/b11-9+
InChIKeyMFLJFLCEDFIGQJ-PKNBQFBNSA-N
XLogP1.89
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.89
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

[4-methyl-3-(2-phenylethynyl)pent-3-en-1-ynyl]benzene
CID 102191460
2-methylbut-2-ene;2-phenylethynylbenzene
CID 143689109
3-methylpenta-3,4-dien-1-ynylbenzene
CID 11182723
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
1,6-diphenylhex-3-en-1,5-diyne-3,4-dithiol
CID 72543052
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
prop-1-ynylbenzene
CID 142310164
(E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol
CID 10797282
palladium;bis(3-phenylprop-2-ynoic acid)
CID 139238294
N-(1-naphthalen-1-yl-3-phenylprop-2-ynylidene)hydroxylamine
CID 175354087

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine (CID 10920802) is (NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine is C/C(C#Cc1ccccc1)=N\O.
What is the InChIKey of (NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine?
The InChIKey is MFLJFLCEDFIGQJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H9NO/c1-9(11-12)7-8-10-5-3-2-4-6-10/h2-6,12H,1H3/b11-9+.
What are the key properties of (NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine?
(NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine has a molecular weight of 159.19 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine is sourced from PubChem (CID 10920802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).