O-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine

C8H8N2O — CID 93493761

IUPACO-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine
SMILESC#C[C@H](ON)c1cccnc1
InChIInChI=1S/C8H8N2O/c1-2-8(11-9)7-4-3-5-10-6-7/h1,3-6,8H,9H2/t8-/m0/s1
InChIKeyXNMAHUANMSBUTF-QMMMGPOBSA-N
MW148.16 g/mol
LogP0.65
Rot. Bonds2

About O-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine

O-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine (PubChem CID 93493761) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is O-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine.

Molecular Properties

Compound NameO-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine
PubChem CID93493761
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC NameO-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine
SMILESC#C[C@H](ON)c1cccnc1
InChIInChI=1S/C8H8N2O/c1-2-8(11-9)7-4-3-5-10-6-7/h1,3-6,8H,9H2/t8-/m0/s1
InChIKeyXNMAHUANMSBUTF-QMMMGPOBSA-N
XLogP0.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(1-pyridin-3-ylprop-2-ynoxy)ethanol
CID 174923212
amino(pyridin-3-yl)methanethiol
CID 116939546
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
2-[aminooxy(pyridin-3-yl)methyl]benzonitrile
CID 69032428
(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729
4-amino-4-pyridin-3-ylbutan-1-ol
CID 85412290
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
1-pyridin-3-ylpent-4-yn-1-ol
CID 15085517
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795

Frequently Asked Questions

What is the IUPAC name of O-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine?
The IUPAC name of O-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine (CID 93493761) is O-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine.
What is the SMILES notation for O-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine?
The canonical SMILES for O-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine is C#C[C@H](ON)c1cccnc1.
What is the InChIKey of O-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine?
The InChIKey is XNMAHUANMSBUTF-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-8(11-9)7-4-3-5-10-6-7/h1,3-6,8H,9H2/t8-/m0/s1.
What are the key properties of O-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine?
O-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine has a molecular weight of 148.16 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(1S)-1-pyridin-3-ylprop-2-ynyl]hydroxylamine is sourced from PubChem (CID 93493761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).