3-aminooxolane-3-carbonitrile;hydrochloride

C5H9ClN2O — CID 54595595

IUPAC3-aminooxolane-3-carbonitrile;hydrochloride
SMILESCl.N#CC1(N)CCOC1
InChIInChI=1S/C5H8N2O.ClH/c6-3-5(7)1-2-8-4-5;/h1-2,4,7H2;1H
InChIKeyLFBWJLGGOLNTAT-UHFFFAOYSA-N
MW148.59 g/mol
LogP0.05
Rot. Bonds

About 3-aminooxolane-3-carbonitrile;hydrochloride

3-aminooxolane-3-carbonitrile;hydrochloride (PubChem CID 54595595) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is 3-aminooxolane-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3-aminooxolane-3-carbonitrile;hydrochloride
PubChem CID54595595
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC Name3-aminooxolane-3-carbonitrile;hydrochloride
SMILESCl.N#CC1(N)CCOC1
InChIInChI=1S/C5H8N2O.ClH/c6-3-5(7)1-2-8-4-5;/h1-2,4,7H2;1H
InChIKeyLFBWJLGGOLNTAT-UHFFFAOYSA-N
XLogP0.05
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-aminooxolane-3-carbonitrile;hydrochloride?
The IUPAC name of 3-aminooxolane-3-carbonitrile;hydrochloride (CID 54595595) is 3-aminooxolane-3-carbonitrile;hydrochloride.
What is the SMILES notation for 3-aminooxolane-3-carbonitrile;hydrochloride?
The canonical SMILES for 3-aminooxolane-3-carbonitrile;hydrochloride is Cl.N#CC1(N)CCOC1.
What is the InChIKey of 3-aminooxolane-3-carbonitrile;hydrochloride?
The InChIKey is LFBWJLGGOLNTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c6-3-5(7)1-2-8-4-5;/h1-2,4,7H2;1H.
What are the key properties of 3-aminooxolane-3-carbonitrile;hydrochloride?
3-aminooxolane-3-carbonitrile;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminooxolane-3-carbonitrile;hydrochloride is sourced from PubChem (CID 54595595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).