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

C7H11NO — CID 145467936

IUPAC(5-methyl-2,3-dihydropyridin-3-yl)methanol
SMILESCC1=CC(CO)CN=C1
InChIInChI=1S/C7H11NO/c1-6-2-7(5-9)4-8-3-6/h2-3,7,9H,4-5H2,1H3
InChIKeyAUQTYSWUIDKLSK-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.63
Rot. Bonds1

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

(5-methyl-2,3-dihydropyridin-3-yl)methanol (PubChem CID 145467936) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (5-methyl-2,3-dihydropyridin-3-yl)methanol.

Molecular Properties

Compound Name(5-methyl-2,3-dihydropyridin-3-yl)methanol
PubChem CID145467936
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(5-methyl-2,3-dihydropyridin-3-yl)methanol
SMILESCC1=CC(CO)CN=C1
InChIInChI=1S/C7H11NO/c1-6-2-7(5-9)4-8-3-6/h2-3,7,9H,4-5H2,1H3
InChIKeyAUQTYSWUIDKLSK-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2,3-dihydropyridin-3-yl)methanol?
The IUPAC name of (5-methyl-2,3-dihydropyridin-3-yl)methanol (CID 145467936) is (5-methyl-2,3-dihydropyridin-3-yl)methanol.
What is the SMILES notation for (5-methyl-2,3-dihydropyridin-3-yl)methanol?
The canonical SMILES for (5-methyl-2,3-dihydropyridin-3-yl)methanol is CC1=CC(CO)CN=C1.
What is the InChIKey of (5-methyl-2,3-dihydropyridin-3-yl)methanol?
The InChIKey is AUQTYSWUIDKLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-2-7(5-9)4-8-3-6/h2-3,7,9H,4-5H2,1H3.
What are the key properties of (5-methyl-2,3-dihydropyridin-3-yl)methanol?
(5-methyl-2,3-dihydropyridin-3-yl)methanol has a molecular weight of 125.17 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2,3-dihydropyridin-3-yl)methanol is sourced from PubChem (CID 145467936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).