3-(2-aminoethyl)cyclobutan-1-one;hydrochloride

C6H12ClNO — CID 121207911

IUPAC3-(2-aminoethyl)cyclobutan-1-one;hydrochloride
SMILESCl.NCCC1CC(=O)C1
InChIInChI=1S/C6H11NO.ClH/c7-2-1-5-3-6(8)4-5;/h5H,1-4,7H2;1H
InChIKeyHLFHUMGHTDWZFT-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.74
Rot. Bonds2

About 3-(2-aminoethyl)cyclobutan-1-one;hydrochloride

3-(2-aminoethyl)cyclobutan-1-one;hydrochloride (PubChem CID 121207911) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 3-(2-aminoethyl)cyclobutan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)cyclobutan-1-one;hydrochloride
PubChem CID121207911
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name3-(2-aminoethyl)cyclobutan-1-one;hydrochloride
SMILESCl.NCCC1CC(=O)C1
InChIInChI=1S/C6H11NO.ClH/c7-2-1-5-3-6(8)4-5;/h5H,1-4,7H2;1H
InChIKeyHLFHUMGHTDWZFT-UHFFFAOYSA-N
XLogP0.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)cyclobutan-1-one;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)cyclobutan-1-one;hydrochloride (CID 121207911) is 3-(2-aminoethyl)cyclobutan-1-one;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)cyclobutan-1-one;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)cyclobutan-1-one;hydrochloride is Cl.NCCC1CC(=O)C1.
What is the InChIKey of 3-(2-aminoethyl)cyclobutan-1-one;hydrochloride?
The InChIKey is HLFHUMGHTDWZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c7-2-1-5-3-6(8)4-5;/h5H,1-4,7H2;1H.
What are the key properties of 3-(2-aminoethyl)cyclobutan-1-one;hydrochloride?
3-(2-aminoethyl)cyclobutan-1-one;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)cyclobutan-1-one;hydrochloride is sourced from PubChem (CID 121207911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).