1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one

C20H36N2O2 — CID 24740754

IUPAC1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCCCCCCCCCCN1CCCC1=O
InChIInChI=1S/C20H36N2O2/c23-19-13-11-17-21(19)15-9-7-5-3-1-2-4-6-8-10-16-22-18-12-14-20(22)24/h1-18H2
InChIKeyLTHBKYXQRLHDSV-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.13
Rot. Bonds13

About 1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one

1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one (PubChem CID 24740754) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one
PubChem CID24740754
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCCCCCCCCCCN1CCCC1=O
InChIInChI=1S/C20H36N2O2/c23-19-13-11-17-21(19)15-9-7-5-3-1-2-4-6-8-10-16-22-18-12-14-20(22)24/h1-18H2
InChIKeyLTHBKYXQRLHDSV-UHFFFAOYSA-N
XLogP4.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Lauryl-2-pyrrolidone
CID 62459
ST031372
CID 341888
1,9-Nonanedioic acid, pyrrolidide
CID 247218
2-Pyrrolidinone, 1-(6-(1-pyrrolidinyl)hexyl)-
CID 203325
1,6-Bis(1-pyrrolidinyl)-1,6-hexanedione
CID 1812104
3-(2,5-Dioxopyrrolidin-1-yl)propyl-[7-[3-(2,5-dioxopyrrolidin-1-yl)propyl-dimethylazaniumyl]heptyl]-dimethylazanium
CID 44279565
1,1'-Hexamethylenebis(pyrrolidin-2-one)
CID 118729
1-Octadecyl-2-pyrrolidinone
CID 81926
2-Pyrrolidinone, 1-hexadecyl-
CID 181205
1-Tetradecylpyrrolidin-2-one
CID 181204
1,10-Bis(2-oxopyrrolidin-1-yl)decane-1,10-dione
CID 3089047
1-Icosylpyrrolidin-2-one
CID 19094496

Frequently Asked Questions

What is the IUPAC name of 1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one?
The IUPAC name of 1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one (CID 24740754) is 1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one?
The canonical SMILES for 1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one is O=C1CCCN1CCCCCCCCCCCCN1CCCC1=O.
What is the InChIKey of 1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one?
The InChIKey is LTHBKYXQRLHDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c23-19-13-11-17-21(19)15-9-7-5-3-1-2-4-6-8-10-16-22-18-12-14-20(22)24/h1-18H2.
What are the key properties of 1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one?
1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one has a molecular weight of 336.52 g/mol, XLogP of 4.13, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[12-(2-oxopyrrolidin-1-yl)dodecyl]pyrrolidin-2-one is sourced from PubChem (CID 24740754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).