5H-pyrrolizin-1-ylmethanol

C8H9NO — CID 138986896

IUPAC5H-pyrrolizin-1-ylmethanol
SMILESOCc1ccn2c1C=CC2
InChIInChI=1S/C8H9NO/c10-6-7-3-5-9-4-1-2-8(7)9/h1-3,5,10H,4,6H2
InChIKeyMZORJPJWSYQUGA-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.01
Rot. Bonds1

About 5H-pyrrolizin-1-ylmethanol

5H-pyrrolizin-1-ylmethanol (PubChem CID 138986896) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 5H-pyrrolizin-1-ylmethanol.

Molecular Properties

Compound Name5H-pyrrolizin-1-ylmethanol
PubChem CID138986896
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name5H-pyrrolizin-1-ylmethanol
SMILESOCc1ccn2c1C=CC2
InChIInChI=1S/C8H9NO/c10-6-7-3-5-9-4-1-2-8(7)9/h1-3,5,10H,4,6H2
InChIKeyMZORJPJWSYQUGA-UHFFFAOYSA-N
XLogP1.01
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5H-pyrrolizin-1-ylmethanol 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 5H-pyrrolizin-1-ylmethanol?
The IUPAC name of 5H-pyrrolizin-1-ylmethanol (CID 138986896) is 5H-pyrrolizin-1-ylmethanol.
What is the SMILES notation for 5H-pyrrolizin-1-ylmethanol?
The canonical SMILES for 5H-pyrrolizin-1-ylmethanol is OCc1ccn2c1C=CC2.
What is the InChIKey of 5H-pyrrolizin-1-ylmethanol?
The InChIKey is MZORJPJWSYQUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-6-7-3-5-9-4-1-2-8(7)9/h1-3,5,10H,4,6H2.
What are the key properties of 5H-pyrrolizin-1-ylmethanol?
5H-pyrrolizin-1-ylmethanol has a molecular weight of 135.17 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrrolizin-1-ylmethanol is sourced from PubChem (CID 138986896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).