(3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol

C8H13NO — CID 141203015

IUPAC(3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol
SMILESCC1=CNC(CO)C(C)=C1
InChIInChI=1S/C8H13NO/c1-6-3-7(2)8(5-10)9-4-6/h3-4,8-10H,5H2,1-2H3
InChIKeyFVSCLFANKKHUGM-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.80
Rot. Bonds1

About (3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol

(3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol (PubChem CID 141203015) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol
PubChem CID141203015
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol
SMILESCC1=CNC(CO)C(C)=C1
InChIInChI=1S/C8H13NO/c1-6-3-7(2)8(5-10)9-4-6/h3-4,8-10H,5H2,1-2H3
InChIKeyFVSCLFANKKHUGM-UHFFFAOYSA-N
XLogP0.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol?
The IUPAC name of (3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol (CID 141203015) is (3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol.
What is the SMILES notation for (3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol?
The canonical SMILES for (3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol is CC1=CNC(CO)C(C)=C1.
What is the InChIKey of (3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol?
The InChIKey is FVSCLFANKKHUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-3-7(2)8(5-10)9-4-6/h3-4,8-10H,5H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol?
(3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol has a molecular weight of 139.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-dihydropyridin-2-yl)methanol is sourced from PubChem (CID 141203015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).