2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol

C9H15NO — CID 121480613

IUPAC2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol
SMILESCC1=CC=C[C@H](C(C)CO)N1
InChIInChI=1S/C9H15NO/c1-7(6-11)9-5-3-4-8(2)10-9/h3-5,7,9-11H,6H2,1-2H3/t7?,9-/m1/s1
InChIKeyXBTUXMBWTPGDPV-NHSZFOGYSA-N
MW153.22 g/mol
LogP1.05
Rot. Bonds2

About 2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol

2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol (PubChem CID 121480613) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol
PubChem CID121480613
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol
SMILESCC1=CC=C[C@H](C(C)CO)N1
InChIInChI=1S/C9H15NO/c1-7(6-11)9-5-3-4-8(2)10-9/h3-5,7,9-11H,6H2,1-2H3/t7?,9-/m1/s1
InChIKeyXBTUXMBWTPGDPV-NHSZFOGYSA-N
XLogP1.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol?
The IUPAC name of 2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol (CID 121480613) is 2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol.
What is the SMILES notation for 2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol?
The canonical SMILES for 2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol is CC1=CC=C[C@H](C(C)CO)N1.
What is the InChIKey of 2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol?
The InChIKey is XBTUXMBWTPGDPV-NHSZFOGYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(6-11)9-5-3-4-8(2)10-9/h3-5,7,9-11H,6H2,1-2H3/t7?,9-/m1/s1.
What are the key properties of 2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol?
2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol is sourced from PubChem (CID 121480613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).