1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one

C20H29NO3 — CID 10019613

IUPAC1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2ccc(OC)c(OC3CCCC3)c2)C1
InChIInChI=1S/C20H29NO3/c1-3-6-20(22)21-12-11-16(14-21)15-9-10-18(23-2)19(13-15)24-17-7-4-5-8-17/h9-10,13,16-17H,3-8,11-12,14H2,1-2H3
InChIKeyLELCWPHONZBTEW-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.13
Rot. Bonds6

About 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one

1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 10019613) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one
PubChem CID10019613
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2ccc(OC)c(OC3CCCC3)c2)C1
InChIInChI=1S/C20H29NO3/c1-3-6-20(22)21-12-11-16(14-21)15-9-10-18(23-2)19(13-15)24-17-7-4-5-8-17/h9-10,13,16-17H,3-8,11-12,14H2,1-2H3
InChIKeyLELCWPHONZBTEW-UHFFFAOYSA-N
XLogP4.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one (CID 10019613) is 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one is CCCC(=O)N1CCC(c2ccc(OC)c(OC3CCCC3)c2)C1.
What is the InChIKey of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is LELCWPHONZBTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-3-6-20(22)21-12-11-16(14-21)15-9-10-18(23-2)19(13-15)24-17-7-4-5-8-17/h9-10,13,16-17H,3-8,11-12,14H2,1-2H3.
What are the key properties of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one?
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 331.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 10019613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).