(2R)-3,4-dihydro-2H-pyrrole-2-carboxylate

C5H6NO2- — CID 45266718

IUPAC(2R)-3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESO=C([O-])[C@H]1CCC=N1
InChIInChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/p-1/t4-/m1/s1
InChIKeyDWAKNKKXGALPNW-SCSAIBSYSA-M
MW112.11 g/mol
LogP-1.03
Rot. Bonds1

About (2R)-3,4-dihydro-2H-pyrrole-2-carboxylate

(2R)-3,4-dihydro-2H-pyrrole-2-carboxylate (PubChem CID 45266718) has the molecular formula C5H6NO2- and a molecular weight of 112.11 g/mol. Its IUPAC name is (2R)-3,4-dihydro-2H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name(2R)-3,4-dihydro-2H-pyrrole-2-carboxylate
PubChem CID45266718
Molecular FormulaC5H6NO2-
Molecular Weight112.11 g/mol
Exact Mass112.04
IUPAC Name(2R)-3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESO=C([O-])[C@H]1CCC=N1
InChIInChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/p-1/t4-/m1/s1
InChIKeyDWAKNKKXGALPNW-SCSAIBSYSA-M
XLogP-1.03
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.11
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,4-dihydro-2H-pyrrole-2-carboxylate?
The IUPAC name of (2R)-3,4-dihydro-2H-pyrrole-2-carboxylate (CID 45266718) is (2R)-3,4-dihydro-2H-pyrrole-2-carboxylate.
What is the SMILES notation for (2R)-3,4-dihydro-2H-pyrrole-2-carboxylate?
The canonical SMILES for (2R)-3,4-dihydro-2H-pyrrole-2-carboxylate is O=C([O-])[C@H]1CCC=N1.
What is the InChIKey of (2R)-3,4-dihydro-2H-pyrrole-2-carboxylate?
The InChIKey is DWAKNKKXGALPNW-SCSAIBSYSA-M. The full InChI is InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/p-1/t4-/m1/s1.
What are the key properties of (2R)-3,4-dihydro-2H-pyrrole-2-carboxylate?
(2R)-3,4-dihydro-2H-pyrrole-2-carboxylate has a molecular weight of 112.11 g/mol, XLogP of -1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,4-dihydro-2H-pyrrole-2-carboxylate is sourced from PubChem (CID 45266718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).