2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol

C9H17NO — CID 173103072

IUPAC2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol
SMILESCC(CO)C12CCCN1CC2
InChIInChI=1S/C9H17NO/c1-8(7-11)9-3-2-5-10(9)6-4-9/h8,11H,2-7H2,1H3
InChIKeyIYWUOMBOGZLWSR-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.85
Rot. Bonds2

About 2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol

2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol (PubChem CID 173103072) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol
PubChem CID173103072
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol
SMILESCC(CO)C12CCCN1CC2
InChIInChI=1S/C9H17NO/c1-8(7-11)9-3-2-5-10(9)6-4-9/h8,11H,2-7H2,1H3
InChIKeyIYWUOMBOGZLWSR-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol?
The IUPAC name of 2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol (CID 173103072) is 2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol.
What is the SMILES notation for 2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol?
The canonical SMILES for 2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol is CC(CO)C12CCCN1CC2.
What is the InChIKey of 2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol?
The InChIKey is IYWUOMBOGZLWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(7-11)9-3-2-5-10(9)6-4-9/h8,11H,2-7H2,1H3.
What are the key properties of 2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol?
2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol is sourced from PubChem (CID 173103072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).