propyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate

C75H135N5O15 — CID 157127477

IUPACpropyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate
SMILESCCCCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCN1CC(C(=O)OCCC)CC1=O
InChIInChI=1S/C17H31NO3.C16H29NO3.C15H27NO3.C14H25NO3.C13H23NO3/c1-3-5-6-7-8-9-10-11-18-14-15(13-16(18)19)17(20)21-12-4-2;1-3-5-6-7-8-9-10-17-13-14(12-15(17)18)16(19)20-11-4-2;1-3-5-6-7-8-9-16-12-13(11-14(16)17)15(18)19-10-4-2;1-3-5-6-7-8-15-11-12(10-13(15)16)14(17)18-9-4-2;1-3-5-6-7-14-10-11(9-12(14)15)13(16)17-8-4-2/h15H,3-14H2,1-2H3;14H,3-13H2,1-2H3;13H,3-12H2,1-2H3;12H,3-11H2,1-2H3;11H,3-10H2,1-2H3
InChIKeyAIRFKPDTOOQFNN-UHFFFAOYSA-N
MW1346.92 g/mol
LogP13.79
Rot. Bonds45

About propyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate

propyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate (PubChem CID 157127477) has the molecular formula C75H135N5O15 and a molecular weight of 1346.92 g/mol. Its IUPAC name is propyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namepropyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate
PubChem CID157127477
Molecular FormulaC75H135N5O15
Molecular Weight1346.92 g/mol
Exact Mass1346.00
IUPAC Namepropyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate
SMILESCCCCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCN1CC(C(=O)OCCC)CC1=O
InChIInChI=1S/C17H31NO3.C16H29NO3.C15H27NO3.C14H25NO3.C13H23NO3/c1-3-5-6-7-8-9-10-11-18-14-15(13-16(18)19)17(20)21-12-4-2;1-3-5-6-7-8-9-10-17-13-14(12-15(17)18)16(19)20-11-4-2;1-3-5-6-7-8-9-16-12-13(11-14(16)17)15(18)19-10-4-2;1-3-5-6-7-8-15-11-12(10-13(15)16)14(17)18-9-4-2;1-3-5-6-7-14-10-11(9-12(14)15)13(16)17-8-4-2/h15H,3-14H2,1-2H3;14H,3-13H2,1-2H3;13H,3-12H2,1-2H3;12H,3-11H2,1-2H3;11H,3-10H2,1-2H3
InChIKeyAIRFKPDTOOQFNN-UHFFFAOYSA-N
XLogP13.79
TPSA233.05 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds45
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001346.92
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze propyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate?
The IUPAC name of propyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate (CID 157127477) is propyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate.
What is the SMILES notation for propyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate?
The canonical SMILES for propyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate is CCCCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCN1CC(C(=O)OCCC)CC1=O.
What is the InChIKey of propyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate?
The InChIKey is AIRFKPDTOOQFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3.C16H29NO3.C15H27NO3.C14H25NO3.C13H23NO3/c1-3-5-6-7-8-9-10-11-18-14-15(13-16(18)19)17(20)21-12-4-2;1-3-5-6-7-8-9-10-17-13-14(12-15(17)18)16(19)20-11-4-2;1-3-5-6-7-8-9-16-12-13(11-14(16)17)15(18)19-10-4-2;1-3-5-6-7-8-15-11-12(10-13(15)16)14(17)18-9-4-2;1-3-5-6-7-14-10-11(9-12(14)15)13(16)17-8-4-2/h15H,3-14H2,1-2H3;14H,3-13H2,1-2H3;13H,3-12H2,1-2H3;12H,3-11H2,1-2H3;11H,3-10H2,1-2H3.
What are the key properties of propyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate?
propyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate has a molecular weight of 1346.92 g/mol, XLogP of 13.79, 45 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-heptyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexyl-5-oxopyrrolidine-3-carboxylate;propyl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propyl 1-octyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-pentylpyrrolidine-3-carboxylate is sourced from PubChem (CID 157127477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).