1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride

C7H12ClNO — CID 75467892

IUPAC1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride
SMILESC#CC(N)C1CCOC1.Cl
InChIInChI=1S/C7H11NO.ClH/c1-2-7(8)6-3-4-9-5-6;/h1,6-7H,3-5,8H2;1H
InChIKeyQIIXPLILUYCIFF-UHFFFAOYSA-N
MW161.63 g/mol
LogP0.41
Rot. Bonds1

About 1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride

1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride (PubChem CID 75467892) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride
PubChem CID75467892
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride
SMILESC#CC(N)C1CCOC1.Cl
InChIInChI=1S/C7H11NO.ClH/c1-2-7(8)6-3-4-9-5-6;/h1,6-7H,3-5,8H2;1H
InChIKeyQIIXPLILUYCIFF-UHFFFAOYSA-N
XLogP0.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride?
The IUPAC name of 1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride (CID 75467892) is 1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride.
What is the SMILES notation for 1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride?
The canonical SMILES for 1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride is C#CC(N)C1CCOC1.Cl.
What is the InChIKey of 1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride?
The InChIKey is QIIXPLILUYCIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.ClH/c1-2-7(8)6-3-4-9-5-6;/h1,6-7H,3-5,8H2;1H.
What are the key properties of 1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride?
1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride has a molecular weight of 161.63 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)prop-2-yn-1-amine;hydrochloride is sourced from PubChem (CID 75467892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).