propyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate

C81H150N4O12 — CID 157485853

IUPACpropyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate
SMILESCCCCCCCCCCCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCCCCCN1CC(C(=O)OCCC)CC1=O
InChIInChI=1S/C24H45NO3.C20H37NO3.C19H35NO3.C18H33NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21-22(20-23(25)26)24(27)28-19-4-2;1-3-5-6-7-8-9-10-11-12-13-14-21-17-18(16-19(21)22)20(23)24-15-4-2;1-3-5-6-7-8-9-10-11-12-13-20-16-17(15-18(20)21)19(22)23-14-4-2;1-3-5-6-7-8-9-10-11-12-19-15-16(14-17(19)20)18(21)22-13-4-2/h22H,3-21H2,1-2H3;18H,3-17H2,1-2H3;17H,3-16H2,1-2H3;16H,3-15H2,1-2H3
InChIKeyBWRYDMYFRWWWGQ-UHFFFAOYSA-N
MW1372.11 g/mol
LogP19.23
Rot. Bonds57

About propyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate

propyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate (PubChem CID 157485853) has the molecular formula C81H150N4O12 and a molecular weight of 1372.11 g/mol. Its IUPAC name is propyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namepropyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate
PubChem CID157485853
Molecular FormulaC81H150N4O12
Molecular Weight1372.11 g/mol
Exact Mass1371.13
IUPAC Namepropyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate
SMILESCCCCCCCCCCCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCCCCCN1CC(C(=O)OCCC)CC1=O
InChIInChI=1S/C24H45NO3.C20H37NO3.C19H35NO3.C18H33NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21-22(20-23(25)26)24(27)28-19-4-2;1-3-5-6-7-8-9-10-11-12-13-14-21-17-18(16-19(21)22)20(23)24-15-4-2;1-3-5-6-7-8-9-10-11-12-13-20-16-17(15-18(20)21)19(22)23-14-4-2;1-3-5-6-7-8-9-10-11-12-19-15-16(14-17(19)20)18(21)22-13-4-2/h22H,3-21H2,1-2H3;18H,3-17H2,1-2H3;17H,3-16H2,1-2H3;16H,3-15H2,1-2H3
InChIKeyBWRYDMYFRWWWGQ-UHFFFAOYSA-N
XLogP19.23
TPSA186.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds57
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001372.11
LogP ≤ 519.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate?
The IUPAC name of propyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate (CID 157485853) is propyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate.
What is the SMILES notation for propyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate?
The canonical SMILES for propyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate is CCCCCCCCCCCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCCCCCCN1CC(C(=O)OCCC)CC1=O.CCCCCCCCCCN1CC(C(=O)OCCC)CC1=O.
What is the InChIKey of propyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate?
The InChIKey is BWRYDMYFRWWWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO3.C20H37NO3.C19H35NO3.C18H33NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21-22(20-23(25)26)24(27)28-19-4-2;1-3-5-6-7-8-9-10-11-12-13-14-21-17-18(16-19(21)22)20(23)24-15-4-2;1-3-5-6-7-8-9-10-11-12-13-20-16-17(15-18(20)21)19(22)23-14-4-2;1-3-5-6-7-8-9-10-11-12-19-15-16(14-17(19)20)18(21)22-13-4-2/h22H,3-21H2,1-2H3;18H,3-17H2,1-2H3;17H,3-16H2,1-2H3;16H,3-15H2,1-2H3.
What are the key properties of propyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate?
propyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate has a molecular weight of 1372.11 g/mol, XLogP of 19.23, 57 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-decyl-5-oxopyrrolidine-3-carboxylate;propyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propyl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propyl 5-oxo-1-undecylpyrrolidine-3-carboxylate is sourced from PubChem (CID 157485853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).