1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione

C16H27NO3 — CID 58958718

IUPAC1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione
SMILESCCCCCOC1CCCN1C(=O)C(=O)C1CCCC1
InChIInChI=1S/C16H27NO3/c1-2-3-6-12-20-14-10-7-11-17(14)16(19)15(18)13-8-4-5-9-13/h13-14H,2-12H2,1H3
InChIKeyMHNRKJNXPSWYSB-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.90
Rot. Bonds7

About 1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione

1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione (PubChem CID 58958718) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione
PubChem CID58958718
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione
SMILESCCCCCOC1CCCN1C(=O)C(=O)C1CCCC1
InChIInChI=1S/C16H27NO3/c1-2-3-6-12-20-14-10-7-11-17(14)16(19)15(18)13-8-4-5-9-13/h13-14H,2-12H2,1H3
InChIKeyMHNRKJNXPSWYSB-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclopentyl-2-(2,2,4,5-tetramethyl-1,3-oxazolidin-3-yl)ethane-1,2-dione
CID 53734659
1-(2-Ethoxypyrrolidin-1-yl)heptane-1,2-dione
CID 58958709
1-(2-Butoxypyrrolidin-1-yl)-2-cyclohexylethane-1,2-dione
CID 58958711
1-(2-Hexoxypyrrolidin-1-yl)nonane-1,2-dione
CID 58958746
2-[1-(4-Ethoxybutanoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 80366580

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione (CID 58958718) is 1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione is CCCCCOC1CCCN1C(=O)C(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione?
The InChIKey is MHNRKJNXPSWYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-3-6-12-20-14-10-7-11-17(14)16(19)15(18)13-8-4-5-9-13/h13-14H,2-12H2,1H3.
What are the key properties of 1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione?
1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione has a molecular weight of 281.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-pentoxypyrrolidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 58958718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).