decyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate

C23H41NO3 — CID 91695554

IUPACdecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCOC(=O)C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C23H41NO3/c1-2-3-4-5-6-7-8-11-19-27-23(26)21-15-12-18-24(21)22(25)17-16-20-13-9-10-14-20/h20-21H,2-19H2,1H3
InChIKeyBSOYHNMZAVEYFH-UHFFFAOYSA-N
MW379.59 g/mol
LogP5.63
Rot. Bonds13

About decyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate

decyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 91695554) has the molecular formula C23H41NO3 and a molecular weight of 379.59 g/mol. Its IUPAC name is decyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namedecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID91695554
Molecular FormulaC23H41NO3
Molecular Weight379.59 g/mol
Exact Mass379.31
IUPAC Namedecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCOC(=O)C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C23H41NO3/c1-2-3-4-5-6-7-8-11-19-27-23(26)21-15-12-18-24(21)22(25)17-16-20-13-9-10-14-20/h20-21H,2-19H2,1H3
InChIKeyBSOYHNMZAVEYFH-UHFFFAOYSA-N
XLogP5.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of decyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of decyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate (CID 91695554) is decyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for decyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for decyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate is CCCCCCCCCCOC(=O)C1CCCN1C(=O)CCC1CCCC1.
What is the InChIKey of decyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is BSOYHNMZAVEYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO3/c1-2-3-4-5-6-7-8-11-19-27-23(26)21-15-12-18-24(21)22(25)17-16-20-13-9-10-14-20/h20-21H,2-19H2,1H3.
What are the key properties of decyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
decyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 379.59 g/mol, XLogP of 5.63, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91695554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).