formic acid;1,2,3,4-tetrahydropyridine

C6H11NO2 — CID 175462522

IUPACformic acid;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.O=CO
InChIInChI=1S/C5H9N.CH2O2/c1-2-4-6-5-3-1;2-1-3/h2,4,6H,1,3,5H2;1H,(H,2,3)
InChIKeyUDTKTDYDISTAGI-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.58
Rot. Bonds

About formic acid;1,2,3,4-tetrahydropyridine

formic acid;1,2,3,4-tetrahydropyridine (PubChem CID 175462522) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is formic acid;1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Nameformic acid;1,2,3,4-tetrahydropyridine
PubChem CID175462522
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameformic acid;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.O=CO
InChIInChI=1S/C5H9N.CH2O2/c1-2-4-6-5-3-1;2-1-3/h2,4,6H,1,3,5H2;1H,(H,2,3)
InChIKeyUDTKTDYDISTAGI-UHFFFAOYSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;1,2,3,4-tetrahydropyridine?
The IUPAC name of formic acid;1,2,3,4-tetrahydropyridine (CID 175462522) is formic acid;1,2,3,4-tetrahydropyridine.
What is the SMILES notation for formic acid;1,2,3,4-tetrahydropyridine?
The canonical SMILES for formic acid;1,2,3,4-tetrahydropyridine is C1=CNCCC1.O=CO.
What is the InChIKey of formic acid;1,2,3,4-tetrahydropyridine?
The InChIKey is UDTKTDYDISTAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.CH2O2/c1-2-4-6-5-3-1;2-1-3/h2,4,6H,1,3,5H2;1H,(H,2,3).
What are the key properties of formic acid;1,2,3,4-tetrahydropyridine?
formic acid;1,2,3,4-tetrahydropyridine has a molecular weight of 129.16 g/mol, XLogP of 0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 175462522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).