6,7-dihydro-5H-pyrrolizine-2-carboxylic acid

C8H9NO2 — CID 82594794

IUPAC6,7-dihydro-5H-pyrrolizine-2-carboxylic acid
SMILESO=C(O)c1cc2n(c1)CCC2
InChIInChI=1S/C8H9NO2/c10-8(11)6-4-7-2-1-3-9(7)5-6/h4-5H,1-3H2,(H,10,11)
InChIKeyKDBCAWAGTHKQEM-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.13
Rot. Bonds1

About 6,7-dihydro-5H-pyrrolizine-2-carboxylic acid

6,7-dihydro-5H-pyrrolizine-2-carboxylic acid (PubChem CID 82594794) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolizine-2-carboxylic acid.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolizine-2-carboxylic acid
PubChem CID82594794
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name6,7-dihydro-5H-pyrrolizine-2-carboxylic acid
SMILESO=C(O)c1cc2n(c1)CCC2
InChIInChI=1S/C8H9NO2/c10-8(11)6-4-7-2-1-3-9(7)5-6/h4-5H,1-3H2,(H,10,11)
InChIKeyKDBCAWAGTHKQEM-UHFFFAOYSA-N
XLogP1.13
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolizine-2-carboxylic acid?
The IUPAC name of 6,7-dihydro-5H-pyrrolizine-2-carboxylic acid (CID 82594794) is 6,7-dihydro-5H-pyrrolizine-2-carboxylic acid.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolizine-2-carboxylic acid?
The canonical SMILES for 6,7-dihydro-5H-pyrrolizine-2-carboxylic acid is O=C(O)c1cc2n(c1)CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolizine-2-carboxylic acid?
The InChIKey is KDBCAWAGTHKQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-8(11)6-4-7-2-1-3-9(7)5-6/h4-5H,1-3H2,(H,10,11).
What are the key properties of 6,7-dihydro-5H-pyrrolizine-2-carboxylic acid?
6,7-dihydro-5H-pyrrolizine-2-carboxylic acid has a molecular weight of 151.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolizine-2-carboxylic acid is sourced from PubChem (CID 82594794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).