1-propan-2-yl-4-propoxypyridin-2-one

C11H17NO2 — CID 164856120

IUPAC1-propan-2-yl-4-propoxypyridin-2-one
SMILESCCCOc1ccn(C(C)C)c(=O)c1
InChIInChI=1S/C11H17NO2/c1-4-7-14-10-5-6-12(9(2)3)11(13)8-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyAHZCZVONRAYDCY-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.22
Rot. Bonds4

About 1-propan-2-yl-4-propoxypyridin-2-one

1-propan-2-yl-4-propoxypyridin-2-one (PubChem CID 164856120) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-propan-2-yl-4-propoxypyridin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-propoxypyridin-2-one
PubChem CID164856120
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-propan-2-yl-4-propoxypyridin-2-one
SMILESCCCOc1ccn(C(C)C)c(=O)c1
InChIInChI=1S/C11H17NO2/c1-4-7-14-10-5-6-12(9(2)3)11(13)8-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyAHZCZVONRAYDCY-UHFFFAOYSA-N
XLogP2.22
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-methylpyridone-2
CID 349950
4-Methoxy-1,6-dimethylpyridin-2(1H)-one
CID 71362233
4-Ethoxy-1-methylpyridin-2-one
CID 14242155
4-Pentoxy-1-propylpyridin-2-one
CID 16657467
1-(4-ethoxy-2-methyl-2H-pyridin-1-yl)ethanone
CID 18711295
4-Ethoxy-1-ethylpyridin-2-one
CID 20263434
5-Methoxy-1-propan-2-ylpyridin-2-one
CID 57640393
1-Butyl-4-pentoxypyridin-2-one
CID 67305839
1-[3-(Dimethylamino)propyl]-4-pentoxypyridin-2-one
CID 67305949
1-(2-Methylpropyl)-4-pentoxypyridin-2-one
CID 67306060
1-(3-Methylbut-2-enyl)-4-pentoxypyridin-2-one
CID 67306783
5-[2-(Dimethylamino)ethoxy]-1-propan-2-ylpyridin-2-one
CID 70844851

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-propoxypyridin-2-one?
The IUPAC name of 1-propan-2-yl-4-propoxypyridin-2-one (CID 164856120) is 1-propan-2-yl-4-propoxypyridin-2-one.
What is the SMILES notation for 1-propan-2-yl-4-propoxypyridin-2-one?
The canonical SMILES for 1-propan-2-yl-4-propoxypyridin-2-one is CCCOc1ccn(C(C)C)c(=O)c1.
What is the InChIKey of 1-propan-2-yl-4-propoxypyridin-2-one?
The InChIKey is AHZCZVONRAYDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-7-14-10-5-6-12(9(2)3)11(13)8-10/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 1-propan-2-yl-4-propoxypyridin-2-one?
1-propan-2-yl-4-propoxypyridin-2-one has a molecular weight of 195.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-propoxypyridin-2-one is sourced from PubChem (CID 164856120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).