3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde

C17H23NO3 — CID 11778917

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde
SMILESCOc1ccc(C2CCN(C=O)C2)cc1OC1CCCC1
InChIInChI=1S/C17H23NO3/c1-20-16-7-6-13(14-8-9-18(11-14)12-19)10-17(16)21-15-4-2-3-5-15/h6-7,10,12,14-15H,2-5,8-9,11H2,1H3
InChIKeyUBWPPPJBQAHXLM-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.96
Rot. Bonds5

About 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde

3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde (PubChem CID 11778917) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde
PubChem CID11778917
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde
SMILESCOc1ccc(C2CCN(C=O)C2)cc1OC1CCCC1
InChIInChI=1S/C17H23NO3/c1-20-16-7-6-13(14-8-9-18(11-14)12-19)10-17(16)21-15-4-2-3-5-15/h6-7,10,12,14-15H,2-5,8-9,11H2,1H3
InChIKeyUBWPPPJBQAHXLM-UHFFFAOYSA-N
XLogP2.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 10266977
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 11726110
3-[4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-4-hydroxycyclobut-3-ene-1,2-dione
CID 19379059
4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione
CID 71601856
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10619838
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one
CID 71173537
4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 5092
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 54134810
1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 23614663
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 10271091

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde (CID 11778917) is 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde is COc1ccc(C2CCN(C=O)C2)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde?
The InChIKey is UBWPPPJBQAHXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-16-7-6-13(14-8-9-18(11-14)12-19)10-17(16)21-15-4-2-3-5-15/h6-7,10,12,14-15H,2-5,8-9,11H2,1H3.
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde?
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde has a molecular weight of 289.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 11778917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).