O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride

C5H12ClNO2 — CID 67132109

IUPACO-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride
SMILESCl.NOCC1CCOC1
InChIInChI=1S/C5H11NO2.ClH/c6-8-4-5-1-2-7-3-5;/h5H,1-4,6H2;1H
InChIKeyIGUHKKFIPFWTRI-UHFFFAOYSA-N
MW153.61 g/mol
LogP0.34
Rot. Bonds2

About O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride

O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride (PubChem CID 67132109) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride
PubChem CID67132109
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC NameO-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride
SMILESCl.NOCC1CCOC1
InChIInChI=1S/C5H11NO2.ClH/c6-8-4-5-1-2-7-3-5;/h5H,1-4,6H2;1H
InChIKeyIGUHKKFIPFWTRI-UHFFFAOYSA-N
XLogP0.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-(oxolan-3-ylmethyl)hydroxylamine
CID 25137671
ethane;3-(methoxymethyl)oxolane
CID 143285946
diethyl(oxolan-3-ylmethoxy)alumane
CID 139905311
2-(oxolan-3-yl)ethanamine
CID 22355254
(3S)-3-[[(3E)-penta-1,3-dien-3-yl]oxymethyl]oxolane
CID 170088260
3-ethyloxolane
CID 10996972
3-(bromomethyl)oxolane
CID 14173422
[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine
CID 62109560
2-(oxolan-3-ylmethoxy)acetohydrazide
CID 63570032
ethyl 2-(oxolan-3-ylmethoxy)pentanoate
CID 83038452
ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
CID 115001681
3-(2-bromoprop-2-enoxymethyl)oxolane
CID 131211912

Frequently Asked Questions

What is the IUPAC name of O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride?
The IUPAC name of O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride (CID 67132109) is O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride.
What is the SMILES notation for O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride?
The canonical SMILES for O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride is Cl.NOCC1CCOC1.
What is the InChIKey of O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride?
The InChIKey is IGUHKKFIPFWTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c6-8-4-5-1-2-7-3-5;/h5H,1-4,6H2;1H.
What are the key properties of O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride?
O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride is sourced from PubChem (CID 67132109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).