N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine

C15H13NO — CID 134926721

IUPACN-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine
SMILESON[C@@H](C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO/c17-16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15-17H/t15-/m0/s1
InChIKeyQFDBTYKRDZRMDH-HNNXBMFYSA-N
MW223.27 g/mol
LogP2.76
Rot. Bonds2

About N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine

N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine (PubChem CID 134926721) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine
PubChem CID134926721
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC NameN-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine
SMILESON[C@@H](C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO/c17-16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15-17H/t15-/m0/s1
InChIKeyQFDBTYKRDZRMDH-HNNXBMFYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-diphenylprop-2-ynyl)aniline
CID 11196846
2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol
CID 101260861
methyl N-(1,3-diphenylprop-2-ynyl)carbamate
CID 102372923
N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide
CID 86086708
N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]aniline
CID 45358247
N-[1-(4-bromophenyl)-3-phenylprop-2-ynyl]aniline
CID 11371889
2-phenylethynylbenzene;dihydrochloride
CID 174927104
4-phenylbut-3-yn-2-amine;hydrochloride
CID 146445428
N-[(1R)-1-(3-methylphenyl)-3-phenylprop-2-ynyl]aniline
CID 102188659
(1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine
CID 101481551
N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide
CID 102410740
1-(1,3-diphenylprop-2-ynyl)-4-phenylbenzene
CID 102164234

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine?
The IUPAC name of N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine (CID 134926721) is N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine.
What is the SMILES notation for N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine?
The canonical SMILES for N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine is ON[C@@H](C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine?
The InChIKey is QFDBTYKRDZRMDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13NO/c17-16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15-17H/t15-/m0/s1.
What are the key properties of N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine?
N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine has a molecular weight of 223.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine is sourced from PubChem (CID 134926721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).