3H-pyrrolizine-1,2-diol

C7H7NO2 — CID 67341931

IUPAC3H-pyrrolizine-1,2-diol
SMILESOC1=C(O)c2cccn2C1
InChIInChI=1S/C7H7NO2/c9-6-4-8-3-1-2-5(8)7(6)10/h1-3,9-10H,4H2
InChIKeyMAGWHCJOXCYUFT-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.29
Rot. Bonds

About 3H-pyrrolizine-1,2-diol

3H-pyrrolizine-1,2-diol (PubChem CID 67341931) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 3H-pyrrolizine-1,2-diol.

Molecular Properties

Compound Name3H-pyrrolizine-1,2-diol
PubChem CID67341931
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name3H-pyrrolizine-1,2-diol
SMILESOC1=C(O)c2cccn2C1
InChIInChI=1S/C7H7NO2/c9-6-4-8-3-1-2-5(8)7(6)10/h1-3,9-10H,4H2
InChIKeyMAGWHCJOXCYUFT-UHFFFAOYSA-N
XLogP1.29
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrrolizine-1,2-diol?
The IUPAC name of 3H-pyrrolizine-1,2-diol (CID 67341931) is 3H-pyrrolizine-1,2-diol.
What is the SMILES notation for 3H-pyrrolizine-1,2-diol?
The canonical SMILES for 3H-pyrrolizine-1,2-diol is OC1=C(O)c2cccn2C1.
What is the InChIKey of 3H-pyrrolizine-1,2-diol?
The InChIKey is MAGWHCJOXCYUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-6-4-8-3-1-2-5(8)7(6)10/h1-3,9-10H,4H2.
What are the key properties of 3H-pyrrolizine-1,2-diol?
3H-pyrrolizine-1,2-diol has a molecular weight of 137.14 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrolizine-1,2-diol is sourced from PubChem (CID 67341931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).