1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one

C12H17NO2 — CID 174637541

IUPAC1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccncc1OCC(C)C
InChIInChI=1S/C12H17NO2/c1-4-11(14)10-5-6-13-7-12(10)15-8-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyYIARCKNNCCNPND-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.71
Rot. Bonds5

About 1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one

1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one (PubChem CID 174637541) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one
PubChem CID174637541
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccncc1OCC(C)C
InChIInChI=1S/C12H17NO2/c1-4-11(14)10-5-6-13-7-12(10)15-8-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyYIARCKNNCCNPND-UHFFFAOYSA-N
XLogP2.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

sodium 3-(2-methylpropoxy)pyridine-4-carboxylate
CID 172826059
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656
1-(3-ethoxy-4-pyridinyl)ethanone
CID 83873268
1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one
CID 91657177
2-amino-1-[4-(2-methylpropoxy)-3-pyridinyl]ethanol
CID 83885089
3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid
CID 106988326
methyl 4-(2-methylbutoxy)pyridine-3-carboxylate
CID 132587596
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
1-(3-ethoxy-4-pyridinyl)ethanol
CID 115013248
3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine
CID 163311699
1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one
CID 122662739
1-[2-(2,2-difluoroethoxy)phenyl]propan-1-one
CID 60921638

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one?
The IUPAC name of 1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one (CID 174637541) is 1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one?
The canonical SMILES for 1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one is CCC(=O)c1ccncc1OCC(C)C.
What is the InChIKey of 1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one?
The InChIKey is YIARCKNNCCNPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-11(14)10-5-6-13-7-12(10)15-8-9(2)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one?
1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one has a molecular weight of 207.27 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one is sourced from PubChem (CID 174637541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).