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

C19H33NO3 — CID 91695551

IUPAChexyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCCCCCOC(=O)C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C19H33NO3/c1-2-3-4-7-15-23-19(22)17-11-8-14-20(17)18(21)13-12-16-9-5-6-10-16/h16-17H,2-15H2,1H3
InChIKeyLLGAOBVLIRHCJS-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.07
Rot. Bonds9

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

hexyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 91695551) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is hexyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namehexyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID91695551
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Namehexyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCCCCCOC(=O)C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C19H33NO3/c1-2-3-4-7-15-23-19(22)17-11-8-14-20(17)18(21)13-12-16-9-5-6-10-16/h16-17H,2-15H2,1H3
InChIKeyLLGAOBVLIRHCJS-UHFFFAOYSA-N
XLogP4.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.07
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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Related Compounds

1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid 3-cyclohexyl-propyl ester
CID 44365450
L-Proline, N-(cyclohexanecarbonyl)-, ethyl ester
CID 54979384
L-Proline, N-valeryl-, hexadecyl ester
CID 91695473
dodecyl N-acetylprolinate
CID 129846608
l-Proline, N-(3-cyclopentylpropionyl)-, methyl ester
CID 531446
l-Proline, N-isobutoxycarbonyl-, octyl ester
CID 6424620
l-Proline, N-isobutoxycarbonyl-, nonyl ester
CID 6424621
l-Proline, N-isobutoxycarbonyl-, dodecyl ester
CID 6424623
l-Proline, N-isobutoxycarbonyl-, tetradecyl ester
CID 6424625
l-Proline, N-isobutoxycarbonyl-, pentadecyl ester
CID 6424626
l-Proline, N-isobutoxycarbonyl-, hexadecyl ester
CID 6424627
l-Proline, N-isobutoxycarbonyl-, heptadecyl ester
CID 6424628

Frequently Asked Questions

What is the IUPAC name of hexyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of hexyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate (CID 91695551) is hexyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for hexyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for hexyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate is CCCCCCOC(=O)C1CCCN1C(=O)CCC1CCCC1.
What is the InChIKey of hexyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is LLGAOBVLIRHCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-2-3-4-7-15-23-19(22)17-11-8-14-20(17)18(21)13-12-16-9-5-6-10-16/h16-17H,2-15H2,1H3.
What are the key properties of hexyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
hexyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 323.48 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91695551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).