6-methyl-1,2,3,6-tetrahydropyridin-2-ol

C6H11NO — CID 5256089

IUPAC6-methyl-1,2,3,6-tetrahydropyridin-2-ol
SMILESCC1C=CCC(O)N1
InChIInChI=1S/C6H11NO/c1-5-3-2-4-6(8)7-5/h2-3,5-8H,4H2,1H3
InChIKeyPZRWPXKCLCJYQV-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.24
Rot. Bonds

About 6-methyl-1,2,3,6-tetrahydropyridin-2-ol

6-methyl-1,2,3,6-tetrahydropyridin-2-ol (PubChem CID 5256089) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 6-methyl-1,2,3,6-tetrahydropyridin-2-ol.

Molecular Properties

Compound Name6-methyl-1,2,3,6-tetrahydropyridin-2-ol
PubChem CID5256089
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name6-methyl-1,2,3,6-tetrahydropyridin-2-ol
SMILESCC1C=CCC(O)N1
InChIInChI=1S/C6H11NO/c1-5-3-2-4-6(8)7-5/h2-3,5-8H,4H2,1H3
InChIKeyPZRWPXKCLCJYQV-UHFFFAOYSA-N
XLogP0.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,6S)-6-methyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid
CID 102229940
ethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 153336559
5-methylcyclopent-2-en-1-ol
CID 23103323
1-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-2-nitroethanol
CID 5246737
3-methylcyclobutene;sulfane
CID 90110313
2-methyl-2,5-dihydro-1H-pyridin-6-one
CID 55303421
(3R,7S)-7-methyl-2,3,4,7-tetrahydro-1H-azepine-3-carbaldehyde
CID 156840866
(1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol
CID 101146882
(5R)-6-ethyl-5-methylcyclohex-3-en-1-ol
CID 89393198
(4S)-3,4-dimethylcyclopentene
CID 145216424
(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol
CID 58878675
(1S,2R,6R)-6-(carboxyamino)-2-methylcyclohex-3-ene-1-carboxylic acid
CID 130252868

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,6-tetrahydropyridin-2-ol?
The IUPAC name of 6-methyl-1,2,3,6-tetrahydropyridin-2-ol (CID 5256089) is 6-methyl-1,2,3,6-tetrahydropyridin-2-ol.
What is the SMILES notation for 6-methyl-1,2,3,6-tetrahydropyridin-2-ol?
The canonical SMILES for 6-methyl-1,2,3,6-tetrahydropyridin-2-ol is CC1C=CCC(O)N1.
What is the InChIKey of 6-methyl-1,2,3,6-tetrahydropyridin-2-ol?
The InChIKey is PZRWPXKCLCJYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-3-2-4-6(8)7-5/h2-3,5-8H,4H2,1H3.
What are the key properties of 6-methyl-1,2,3,6-tetrahydropyridin-2-ol?
6-methyl-1,2,3,6-tetrahydropyridin-2-ol has a molecular weight of 113.16 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,6-tetrahydropyridin-2-ol is sourced from PubChem (CID 5256089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).