3,4-dihydro-2H-pyridine-1-carboxylate

C6H8NO2- — CID 19958095

IUPAC3,4-dihydro-2H-pyridine-1-carboxylate
SMILESO=C([O-])N1C=CCCC1
InChIInChI=1S/C6H9NO2/c8-6(9)7-4-2-1-3-5-7/h2,4H,1,3,5H2,(H,8,9)/p-1
InChIKeyKFXQUZAXONXEMJ-UHFFFAOYSA-M
MW126.13 g/mol
LogP-0.06
Rot. Bonds

About 3,4-dihydro-2H-pyridine-1-carboxylate

3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 19958095) has the molecular formula C6H8NO2- and a molecular weight of 126.13 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Name3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID19958095
Molecular FormulaC6H8NO2-
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name3,4-dihydro-2H-pyridine-1-carboxylate
SMILESO=C([O-])N1C=CCCC1
InChIInChI=1S/C6H9NO2/c8-6(9)7-4-2-1-3-5-7/h2,4H,1,3,5H2,(H,8,9)/p-1
InChIKeyKFXQUZAXONXEMJ-UHFFFAOYSA-M
XLogP-0.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of 3,4-dihydro-2H-pyridine-1-carboxylate (CID 19958095) is 3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for 3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for 3,4-dihydro-2H-pyridine-1-carboxylate is O=C([O-])N1C=CCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is KFXQUZAXONXEMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9NO2/c8-6(9)7-4-2-1-3-5-7/h2,4H,1,3,5H2,(H,8,9)/p-1.
What are the key properties of 3,4-dihydro-2H-pyridine-1-carboxylate?
3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 126.13 g/mol, XLogP of -0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 19958095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).