2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one

C14H21NO2 — CID 115794017

IUPAC2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
SMILESCCCOc1cncc(C(=O)C(C)CCC)c1
InChIInChI=1S/C14H21NO2/c1-4-6-11(3)14(16)12-8-13(10-15-9-12)17-7-5-2/h8-11H,4-7H2,1-3H3
InChIKeyCXERECBPRKWCEX-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.49
Rot. Bonds7

About 2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one

2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one (PubChem CID 115794017) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one.

Molecular Properties

Compound Name2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
PubChem CID115794017
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
SMILESCCCOc1cncc(C(=O)C(C)CCC)c1
InChIInChI=1S/C14H21NO2/c1-4-6-11(3)14(16)12-8-13(10-15-9-12)17-7-5-2/h8-11H,4-7H2,1-3H3
InChIKeyCXERECBPRKWCEX-UHFFFAOYSA-N
XLogP3.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116680587
2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone
CID 116709111
2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone
CID 103458173
2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116554859
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
3-(aminomethyl)-5-methyl-1-(5-propoxy-3-pyridinyl)hexan-1-one
CID 116576849
1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
CID 115794638
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885
4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one
CID 106677594
5-butoxypyridine-3-carboxylic acid
CID 63851154
2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116566359

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one?
The IUPAC name of 2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one (CID 115794017) is 2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one.
What is the SMILES notation for 2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one?
The canonical SMILES for 2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one is CCCOc1cncc(C(=O)C(C)CCC)c1.
What is the InChIKey of 2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one?
The InChIKey is CXERECBPRKWCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-6-11(3)14(16)12-8-13(10-15-9-12)17-7-5-2/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one?
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one has a molecular weight of 235.33 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one is sourced from PubChem (CID 115794017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).