(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol

C7H13NO — CID 45087325

IUPAC(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol
SMILESCN1CCC=CC1CO
InChIInChI=1S/C7H13NO/c1-8-5-3-2-4-7(8)6-9/h2,4,7,9H,3,5-6H2,1H3
InChIKeyLACGQJFPYBIEAX-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.24
Rot. Bonds1

About (1-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol

(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol (PubChem CID 45087325) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol.

Molecular Properties

Compound Name(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol
PubChem CID45087325
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol
SMILESCN1CCC=CC1CO
InChIInChI=1S/C7H13NO/c1-8-5-3-2-4-7(8)6-9/h2,4,7,9H,3,5-6H2,1H3
InChIKeyLACGQJFPYBIEAX-UHFFFAOYSA-N
XLogP0.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
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-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol?
The IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol (CID 45087325) is (1-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol.
What is the SMILES notation for (1-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol?
The canonical SMILES for (1-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol is CN1CCC=CC1CO.
What is the InChIKey of (1-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol?
The InChIKey is LACGQJFPYBIEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-5-3-2-4-7(8)6-9/h2,4,7,9H,3,5-6H2,1H3.
What are the key properties of (1-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol?
(1-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol has a molecular weight of 127.19 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,6-dihydro-2H-pyridin-6-yl)methanol is sourced from PubChem (CID 45087325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).