2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol

C10H17NO — CID 155201098

IUPAC2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol
SMILESCCC1=CC(C(C)(C)O)NC=C1
InChIInChI=1S/C10H17NO/c1-4-8-5-6-11-9(7-8)10(2,3)12/h5-7,9,11-12H,4H2,1-3H3
InChIKeyWHSJYLKJSVHNDC-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.58
Rot. Bonds2

About 2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol

2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol (PubChem CID 155201098) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol
PubChem CID155201098
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol
SMILESCCC1=CC(C(C)(C)O)NC=C1
InChIInChI=1S/C10H17NO/c1-4-8-5-6-11-9(7-8)10(2,3)12/h5-7,9,11-12H,4H2,1-3H3
InChIKeyWHSJYLKJSVHNDC-UHFFFAOYSA-N
XLogP1.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol?
The IUPAC name of 2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol (CID 155201098) is 2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol is CCC1=CC(C(C)(C)O)NC=C1.
What is the InChIKey of 2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol?
The InChIKey is WHSJYLKJSVHNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-8-5-6-11-9(7-8)10(2,3)12/h5-7,9,11-12H,4H2,1-3H3.
What are the key properties of 2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol?
2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol has a molecular weight of 167.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol is sourced from PubChem (CID 155201098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).