(2-methyl-2,3-dihydropyridin-5-yl)methanol

C7H11NO — CID 89130190

IUPAC(2-methyl-2,3-dihydropyridin-5-yl)methanol
SMILESCC1CC=C(CO)C=N1
InChIInChI=1S/C7H11NO/c1-6-2-3-7(5-9)4-8-6/h3-4,6,9H,2,5H2,1H3
InChIKeyYNNVWINCRLZPRP-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.77
Rot. Bonds1

About (2-methyl-2,3-dihydropyridin-5-yl)methanol

(2-methyl-2,3-dihydropyridin-5-yl)methanol (PubChem CID 89130190) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2-methyl-2,3-dihydropyridin-5-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2,3-dihydropyridin-5-yl)methanol
PubChem CID89130190
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2-methyl-2,3-dihydropyridin-5-yl)methanol
SMILESCC1CC=C(CO)C=N1
InChIInChI=1S/C7H11NO/c1-6-2-3-7(5-9)4-8-6/h3-4,6,9H,2,5H2,1H3
InChIKeyYNNVWINCRLZPRP-UHFFFAOYSA-N
XLogP0.77
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydropyridin-5-yl)methanol?
The IUPAC name of (2-methyl-2,3-dihydropyridin-5-yl)methanol (CID 89130190) is (2-methyl-2,3-dihydropyridin-5-yl)methanol.
What is the SMILES notation for (2-methyl-2,3-dihydropyridin-5-yl)methanol?
The canonical SMILES for (2-methyl-2,3-dihydropyridin-5-yl)methanol is CC1CC=C(CO)C=N1.
What is the InChIKey of (2-methyl-2,3-dihydropyridin-5-yl)methanol?
The InChIKey is YNNVWINCRLZPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-2-3-7(5-9)4-8-6/h3-4,6,9H,2,5H2,1H3.
What are the key properties of (2-methyl-2,3-dihydropyridin-5-yl)methanol?
(2-methyl-2,3-dihydropyridin-5-yl)methanol has a molecular weight of 125.17 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydropyridin-5-yl)methanol is sourced from PubChem (CID 89130190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).