1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione

C16H29NO4 — CID 118494456

IUPAC1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione
SMILESCCC(=O)CC(C)CCC(=O)N1CC(OC)CC1COC
InChIInChI=1S/C16H29NO4/c1-5-14(18)8-12(2)6-7-16(19)17-10-15(21-4)9-13(17)11-20-3/h12-13,15H,5-11H2,1-4H3
InChIKeyKUTDHPYCGUWRKW-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.03
Rot. Bonds9

About 1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione

1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione (PubChem CID 118494456) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione.

Molecular Properties

Compound Name1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione
PubChem CID118494456
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione
SMILESCCC(=O)CC(C)CCC(=O)N1CC(OC)CC1COC
InChIInChI=1S/C16H29NO4/c1-5-14(18)8-12(2)6-7-16(19)17-10-15(21-4)9-13(17)11-20-3/h12-13,15H,5-11H2,1-4H3
InChIKeyKUTDHPYCGUWRKW-UHFFFAOYSA-N
XLogP2.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 167729627
2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 128983185
1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 155238412
[(2S,4R)-1-hexadecanoyl-4-methoxypyrrolidin-2-yl]methyl hypoiodite
CID 156850282
ethane;8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid
CID 171500263
1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 154740365
1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one
CID 170768335
1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-propan-2-yltetrazol-1-yl)ethanone
CID 154757057
1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 153365620
6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 128984479
6-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 128983181
1-[(2S,4R)-4-(hydroxymethyl)-2-(methoxymethyl)pyrrolidin-1-yl]heptan-1-one
CID 58468395

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione?
The IUPAC name of 1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione (CID 118494456) is 1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione.
What is the SMILES notation for 1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione?
The canonical SMILES for 1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione is CCC(=O)CC(C)CCC(=O)N1CC(OC)CC1COC.
What is the InChIKey of 1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione?
The InChIKey is KUTDHPYCGUWRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-5-14(18)8-12(2)6-7-16(19)17-10-15(21-4)9-13(17)11-20-3/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione?
1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione has a molecular weight of 299.41 g/mol, XLogP of 2.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione is sourced from PubChem (CID 118494456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).