1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione

C10H17NO3 — CID 103533267

IUPAC1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
SMILESCOC1CCN(C(=O)CCC(C)=O)C1
InChIInChI=1S/C10H17NO3/c1-8(12)3-4-10(13)11-6-5-9(7-11)14-2/h9H,3-7H2,1-2H3
InChIKeyXFKMNPUWLCUZNL-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.60
Rot. Bonds4

About 1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione

1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione (PubChem CID 103533267) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione.

Molecular Properties

Compound Name1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
PubChem CID103533267
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
SMILESCOC1CCN(C(=O)CCC(C)=O)C1
InChIInChI=1S/C10H17NO3/c1-8(12)3-4-10(13)11-6-5-9(7-11)14-2/h9H,3-7H2,1-2H3
InChIKeyXFKMNPUWLCUZNL-UHFFFAOYSA-N
XLogP0.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 19039692
6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532834
4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103540685
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone
CID 83628524
1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 110725259
4-(3-methoxypyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 103531279
2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride
CID 119791443
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione?
The IUPAC name of 1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione (CID 103533267) is 1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione.
What is the SMILES notation for 1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione?
The canonical SMILES for 1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione is COC1CCN(C(=O)CCC(C)=O)C1.
What is the InChIKey of 1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione?
The InChIKey is XFKMNPUWLCUZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(12)3-4-10(13)11-6-5-9(7-11)14-2/h9H,3-7H2,1-2H3.
What are the key properties of 1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione?
1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione has a molecular weight of 199.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione is sourced from PubChem (CID 103533267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).