1,2,3,6-tetrahydropyridin-3-ylmethanol

C6H11NO — CID 5248001

IUPAC1,2,3,6-tetrahydropyridin-3-ylmethanol
SMILESOCC1C=CCNC1
InChIInChI=1S/C6H11NO/c8-5-6-2-1-3-7-4-6/h1-2,6-8H,3-5H2
InChIKeyNVZZMTPNZKZHLA-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.25
Rot. Bonds1

About 1,2,3,6-tetrahydropyridin-3-ylmethanol

1,2,3,6-tetrahydropyridin-3-ylmethanol (PubChem CID 5248001) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridin-3-ylmethanol.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridin-3-ylmethanol
PubChem CID5248001
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1,2,3,6-tetrahydropyridin-3-ylmethanol
SMILESOCC1C=CCNC1
InChIInChI=1S/C6H11NO/c8-5-6-2-1-3-7-4-6/h1-2,6-8H,3-5H2
InChIKeyNVZZMTPNZKZHLA-UHFFFAOYSA-N
XLogP-0.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridin-3-ylmethanol?
The IUPAC name of 1,2,3,6-tetrahydropyridin-3-ylmethanol (CID 5248001) is 1,2,3,6-tetrahydropyridin-3-ylmethanol.
What is the SMILES notation for 1,2,3,6-tetrahydropyridin-3-ylmethanol?
The canonical SMILES for 1,2,3,6-tetrahydropyridin-3-ylmethanol is OCC1C=CCNC1.
What is the InChIKey of 1,2,3,6-tetrahydropyridin-3-ylmethanol?
The InChIKey is NVZZMTPNZKZHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c8-5-6-2-1-3-7-4-6/h1-2,6-8H,3-5H2.
What are the key properties of 1,2,3,6-tetrahydropyridin-3-ylmethanol?
1,2,3,6-tetrahydropyridin-3-ylmethanol has a molecular weight of 113.16 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridin-3-ylmethanol is sourced from PubChem (CID 5248001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).