1H-pyrrolizin-1-ylmethanol

C8H9NO — CID 23365800

IUPAC1H-pyrrolizin-1-ylmethanol
SMILESOCC1C=Cn2cccc21
InChIInChI=1S/C8H9NO/c10-6-7-3-5-9-4-1-2-8(7)9/h1-5,7,10H,6H2
InChIKeyBPSIDGOMPAZPFS-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.05
Rot. Bonds1

About 1H-pyrrolizin-1-ylmethanol

1H-pyrrolizin-1-ylmethanol (PubChem CID 23365800) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 1H-pyrrolizin-1-ylmethanol.

Molecular Properties

Compound Name1H-pyrrolizin-1-ylmethanol
PubChem CID23365800
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name1H-pyrrolizin-1-ylmethanol
SMILESOCC1C=Cn2cccc21
InChIInChI=1S/C8H9NO/c10-6-7-3-5-9-4-1-2-8(7)9/h1-5,7,10H,6H2
InChIKeyBPSIDGOMPAZPFS-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolizin-1-ylmethanol?
The IUPAC name of 1H-pyrrolizin-1-ylmethanol (CID 23365800) is 1H-pyrrolizin-1-ylmethanol.
What is the SMILES notation for 1H-pyrrolizin-1-ylmethanol?
The canonical SMILES for 1H-pyrrolizin-1-ylmethanol is OCC1C=Cn2cccc21.
What is the InChIKey of 1H-pyrrolizin-1-ylmethanol?
The InChIKey is BPSIDGOMPAZPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-6-7-3-5-9-4-1-2-8(7)9/h1-5,7,10H,6H2.
What are the key properties of 1H-pyrrolizin-1-ylmethanol?
1H-pyrrolizin-1-ylmethanol has a molecular weight of 135.17 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolizin-1-ylmethanol is sourced from PubChem (CID 23365800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).