3-aminocyclobutan-1-one;hydrochloride

C4H8ClNO — CID 46942194

IUPAC3-aminocyclobutan-1-one;hydrochloride
SMILESCl.NC1CC(=O)C1
InChIInChI=1S/C4H7NO.ClH/c5-3-1-4(6)2-3;/h3H,1-2,5H2;1H
InChIKeyNEQHFBUOBOTJDV-UHFFFAOYSA-N
MW121.57 g/mol
LogP0.10
Rot. Bonds

About 3-aminocyclobutan-1-one;hydrochloride

3-aminocyclobutan-1-one;hydrochloride (PubChem CID 46942194) has the molecular formula C4H8ClNO and a molecular weight of 121.57 g/mol. Its IUPAC name is 3-aminocyclobutan-1-one;hydrochloride.

Molecular Properties

Compound Name3-aminocyclobutan-1-one;hydrochloride
PubChem CID46942194
Molecular FormulaC4H8ClNO
Molecular Weight121.57 g/mol
Exact Mass121.03
IUPAC Name3-aminocyclobutan-1-one;hydrochloride
SMILESCl.NC1CC(=O)C1
InChIInChI=1S/C4H7NO.ClH/c5-3-1-4(6)2-3;/h3H,1-2,5H2;1H
InChIKeyNEQHFBUOBOTJDV-UHFFFAOYSA-N
XLogP0.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.57
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-aminocyclobutan-1-one;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 3-aminocyclobutan-1-one;hydrochloride?
The IUPAC name of 3-aminocyclobutan-1-one;hydrochloride (CID 46942194) is 3-aminocyclobutan-1-one;hydrochloride.
What is the SMILES notation for 3-aminocyclobutan-1-one;hydrochloride?
The canonical SMILES for 3-aminocyclobutan-1-one;hydrochloride is Cl.NC1CC(=O)C1.
What is the InChIKey of 3-aminocyclobutan-1-one;hydrochloride?
The InChIKey is NEQHFBUOBOTJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.ClH/c5-3-1-4(6)2-3;/h3H,1-2,5H2;1H.
What are the key properties of 3-aminocyclobutan-1-one;hydrochloride?
3-aminocyclobutan-1-one;hydrochloride has a molecular weight of 121.57 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminocyclobutan-1-one;hydrochloride is sourced from PubChem (CID 46942194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).