4-methylideneoxolan-3-amine;hydrochloride

C5H10ClNO — CID 136574694

IUPAC4-methylideneoxolan-3-amine;hydrochloride
SMILESC=C1COCC1N.Cl
InChIInChI=1S/C5H9NO.ClH/c1-4-2-7-3-5(4)6;/h5H,1-3,6H2;1H
InChIKeyAXCFCZFUCIFEHY-UHFFFAOYSA-N
MW135.59 g/mol
LogP0.32
Rot. Bonds

About 4-methylideneoxolan-3-amine;hydrochloride

4-methylideneoxolan-3-amine;hydrochloride (PubChem CID 136574694) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is 4-methylideneoxolan-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methylideneoxolan-3-amine;hydrochloride
PubChem CID136574694
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name4-methylideneoxolan-3-amine;hydrochloride
SMILESC=C1COCC1N.Cl
InChIInChI=1S/C5H9NO.ClH/c1-4-2-7-3-5(4)6;/h5H,1-3,6H2;1H
InChIKeyAXCFCZFUCIFEHY-UHFFFAOYSA-N
XLogP0.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methylideneoxolan-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methylideneoxolan-3-amine;hydrochloride?
The IUPAC name of 4-methylideneoxolan-3-amine;hydrochloride (CID 136574694) is 4-methylideneoxolan-3-amine;hydrochloride.
What is the SMILES notation for 4-methylideneoxolan-3-amine;hydrochloride?
The canonical SMILES for 4-methylideneoxolan-3-amine;hydrochloride is C=C1COCC1N.Cl.
What is the InChIKey of 4-methylideneoxolan-3-amine;hydrochloride?
The InChIKey is AXCFCZFUCIFEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.ClH/c1-4-2-7-3-5(4)6;/h5H,1-3,6H2;1H.
What are the key properties of 4-methylideneoxolan-3-amine;hydrochloride?
4-methylideneoxolan-3-amine;hydrochloride has a molecular weight of 135.59 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylideneoxolan-3-amine;hydrochloride is sourced from PubChem (CID 136574694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).