3-amino-3-phenylcyclobutan-1-ol

C10H13NO — CID 102537928

IUPAC3-amino-3-phenylcyclobutan-1-ol
SMILESNC1(c2ccccc2)CC(O)C1
InChIInChI=1S/C10H13NO/c11-10(6-9(12)7-10)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2
InChIKeyCLUVMSCHJKPZJM-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.00
Rot. Bonds1

About 3-amino-3-phenylcyclobutan-1-ol

3-amino-3-phenylcyclobutan-1-ol (PubChem CID 102537928) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-amino-3-phenylcyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-3-phenylcyclobutan-1-ol
PubChem CID102537928
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-amino-3-phenylcyclobutan-1-ol
SMILESNC1(c2ccccc2)CC(O)C1
InChIInChI=1S/C10H13NO/c11-10(6-9(12)7-10)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2
InChIKeyCLUVMSCHJKPZJM-UHFFFAOYSA-N
XLogP1.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenylcyclobutan-1-ol?
The IUPAC name of 3-amino-3-phenylcyclobutan-1-ol (CID 102537928) is 3-amino-3-phenylcyclobutan-1-ol.
What is the SMILES notation for 3-amino-3-phenylcyclobutan-1-ol?
The canonical SMILES for 3-amino-3-phenylcyclobutan-1-ol is NC1(c2ccccc2)CC(O)C1.
What is the InChIKey of 3-amino-3-phenylcyclobutan-1-ol?
The InChIKey is CLUVMSCHJKPZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c11-10(6-9(12)7-10)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2.
What are the key properties of 3-amino-3-phenylcyclobutan-1-ol?
3-amino-3-phenylcyclobutan-1-ol has a molecular weight of 163.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenylcyclobutan-1-ol is sourced from PubChem (CID 102537928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).