methanol;1,2,3,4-tetrahydropyridine

C6H13NO — CID 67579376

IUPACmethanol;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.CO
InChIInChI=1S/C5H9N.CH4O/c1-2-4-6-5-3-1;1-2/h2,4,6H,1,3,5H2;2H,1H3
InChIKeyFKIUWSNIJDINFT-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.49
Rot. Bonds

About methanol;1,2,3,4-tetrahydropyridine

methanol;1,2,3,4-tetrahydropyridine (PubChem CID 67579376) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is methanol;1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Namemethanol;1,2,3,4-tetrahydropyridine
PubChem CID67579376
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Namemethanol;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.CO
InChIInChI=1S/C5H9N.CH4O/c1-2-4-6-5-3-1;1-2/h2,4,6H,1,3,5H2;2H,1H3
InChIKeyFKIUWSNIJDINFT-UHFFFAOYSA-N
XLogP0.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methanol;1,2,3,4-tetrahydropyridine?
The IUPAC name of methanol;1,2,3,4-tetrahydropyridine (CID 67579376) is methanol;1,2,3,4-tetrahydropyridine.
What is the SMILES notation for methanol;1,2,3,4-tetrahydropyridine?
The canonical SMILES for methanol;1,2,3,4-tetrahydropyridine is C1=CNCCC1.CO.
What is the InChIKey of methanol;1,2,3,4-tetrahydropyridine?
The InChIKey is FKIUWSNIJDINFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.CH4O/c1-2-4-6-5-3-1;1-2/h2,4,6H,1,3,5H2;2H,1H3.
What are the key properties of methanol;1,2,3,4-tetrahydropyridine?
methanol;1,2,3,4-tetrahydropyridine has a molecular weight of 115.18 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 67579376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).