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

C8H13NO — CID 88975943

IUPAC[(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol
SMILESCC1=CN[C@H](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/t8-/m1/s1
InChIKeyFVSCLFANKKHUGM-MRVPVSSYSA-N
MW139.20 g/mol
LogP0.80
Rot. Bonds1

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

[(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol (PubChem CID 88975943) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is [(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol
PubChem CID88975943
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name[(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol
SMILESCC1=CN[C@H](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/t8-/m1/s1
InChIKeyFVSCLFANKKHUGM-MRVPVSSYSA-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

Analyze [(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol?
The IUPAC name of [(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol (CID 88975943) is [(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol.
What is the SMILES notation for [(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol?
The canonical SMILES for [(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol is CC1=CN[C@H](CO)C(C)=C1.
What is the InChIKey of [(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol?
The InChIKey is FVSCLFANKKHUGM-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of [(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol?
[(2S)-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 [(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol is sourced from PubChem (CID 88975943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).