7H-pyrrolizine-3-carboxylic acid

C8H7NO2 — CID 134285076

IUPAC7H-pyrrolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2n1C=CC2
InChIInChI=1S/C8H7NO2/c10-8(11)7-4-3-6-2-1-5-9(6)7/h1,3-5H,2H2,(H,10,11)
InChIKeyKNEIBSOXAOADFK-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.21
Rot. Bonds1

About 7H-pyrrolizine-3-carboxylic acid

7H-pyrrolizine-3-carboxylic acid (PubChem CID 134285076) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 7H-pyrrolizine-3-carboxylic acid.

Molecular Properties

Compound Name7H-pyrrolizine-3-carboxylic acid
PubChem CID134285076
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name7H-pyrrolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2n1C=CC2
InChIInChI=1S/C8H7NO2/c10-8(11)7-4-3-6-2-1-5-9(6)7/h1,3-5H,2H2,(H,10,11)
InChIKeyKNEIBSOXAOADFK-UHFFFAOYSA-N
XLogP1.21
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolizine-3-carboxylic acid?
The IUPAC name of 7H-pyrrolizine-3-carboxylic acid (CID 134285076) is 7H-pyrrolizine-3-carboxylic acid.
What is the SMILES notation for 7H-pyrrolizine-3-carboxylic acid?
The canonical SMILES for 7H-pyrrolizine-3-carboxylic acid is O=C(O)c1ccc2n1C=CC2.
What is the InChIKey of 7H-pyrrolizine-3-carboxylic acid?
The InChIKey is KNEIBSOXAOADFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-8(11)7-4-3-6-2-1-5-9(6)7/h1,3-5H,2H2,(H,10,11).
What are the key properties of 7H-pyrrolizine-3-carboxylic acid?
7H-pyrrolizine-3-carboxylic acid has a molecular weight of 149.15 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolizine-3-carboxylic acid is sourced from PubChem (CID 134285076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).