1-pentan-2-ylazetidin-3-ol

C8H17NO — CID 20517350

IUPAC1-pentan-2-ylazetidin-3-ol
SMILESCCCC(C)N1CC(O)C1
InChIInChI=1S/C8H17NO/c1-3-4-7(2)9-5-8(10)6-9/h7-8,10H,3-6H2,1-2H3
InChIKeyJKWQZWDLFKYFCH-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds3

About 1-pentan-2-ylazetidin-3-ol

1-pentan-2-ylazetidin-3-ol (PubChem CID 20517350) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-pentan-2-ylazetidin-3-ol.

Molecular Properties

Compound Name1-pentan-2-ylazetidin-3-ol
PubChem CID20517350
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-pentan-2-ylazetidin-3-ol
SMILESCCCC(C)N1CC(O)C1
InChIInChI=1S/C8H17NO/c1-3-4-7(2)9-5-8(10)6-9/h7-8,10H,3-6H2,1-2H3
InChIKeyJKWQZWDLFKYFCH-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-pentan-2-ylazetidin-3-ol 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 1-pentan-2-ylazetidin-3-ol?
The IUPAC name of 1-pentan-2-ylazetidin-3-ol (CID 20517350) is 1-pentan-2-ylazetidin-3-ol.
What is the SMILES notation for 1-pentan-2-ylazetidin-3-ol?
The canonical SMILES for 1-pentan-2-ylazetidin-3-ol is CCCC(C)N1CC(O)C1.
What is the InChIKey of 1-pentan-2-ylazetidin-3-ol?
The InChIKey is JKWQZWDLFKYFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-7(2)9-5-8(10)6-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-pentan-2-ylazetidin-3-ol?
1-pentan-2-ylazetidin-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-ylazetidin-3-ol is sourced from PubChem (CID 20517350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).