2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C10H17NO2 — CID 59542605

IUPAC2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(C)C1=CCN(C(=O)CO)CC1
InChIInChI=1S/C10H17NO2/c1-8(2)9-3-5-11(6-4-9)10(13)7-12/h3,8,12H,4-7H2,1-2H3
InChIKeyVAJSUEBGUKMKMV-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.79
Rot. Bonds2

About 2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 59542605) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID59542605
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(C)C1=CCN(C(=O)CO)CC1
InChIInChI=1S/C10H17NO2/c1-8(2)9-3-5-11(6-4-9)10(13)7-12/h3,8,12H,4-7H2,1-2H3
InChIKeyVAJSUEBGUKMKMV-UHFFFAOYSA-N
XLogP0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 59542605) is 2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is CC(C)C1=CCN(C(=O)CO)CC1.
What is the InChIKey of 2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is VAJSUEBGUKMKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)9-3-5-11(6-4-9)10(13)7-12/h3,8,12H,4-7H2,1-2H3.
What are the key properties of 2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 183.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 59542605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).