1-aminocyclobutan-1-ol;hydrochloride

C4H10ClNO — CID 135146045

IUPAC1-aminocyclobutan-1-ol;hydrochloride
SMILESCl.NC1(O)CCC1
InChIInChI=1S/C4H9NO.ClH/c5-4(6)2-1-3-4;/h6H,1-3,5H2;1H
InChIKeyJMOFGJOBBFJZAF-UHFFFAOYSA-N
MW123.58 g/mol
LogP0.24
Rot. Bonds

About 1-aminocyclobutan-1-ol;hydrochloride

1-aminocyclobutan-1-ol;hydrochloride (PubChem CID 135146045) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is 1-aminocyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-aminocyclobutan-1-ol;hydrochloride
PubChem CID135146045
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Name1-aminocyclobutan-1-ol;hydrochloride
SMILESCl.NC1(O)CCC1
InChIInChI=1S/C4H9NO.ClH/c5-4(6)2-1-3-4;/h6H,1-3,5H2;1H
InChIKeyJMOFGJOBBFJZAF-UHFFFAOYSA-N
XLogP0.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminocyclobutan-1-ol;hydrochloride?
The IUPAC name of 1-aminocyclobutan-1-ol;hydrochloride (CID 135146045) is 1-aminocyclobutan-1-ol;hydrochloride.
What is the SMILES notation for 1-aminocyclobutan-1-ol;hydrochloride?
The canonical SMILES for 1-aminocyclobutan-1-ol;hydrochloride is Cl.NC1(O)CCC1.
What is the InChIKey of 1-aminocyclobutan-1-ol;hydrochloride?
The InChIKey is JMOFGJOBBFJZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.ClH/c5-4(6)2-1-3-4;/h6H,1-3,5H2;1H.
What are the key properties of 1-aminocyclobutan-1-ol;hydrochloride?
1-aminocyclobutan-1-ol;hydrochloride has a molecular weight of 123.58 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 135146045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).