1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one

C20H36N2O2 — CID 15563606

IUPAC1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one
SMILESCCCCN1C(=O)C(CC)CC1C1CC(CC)C(=O)N1CCCC
InChIInChI=1S/C20H36N2O2/c1-5-9-11-21-17(13-15(7-3)19(21)23)18-14-16(8-4)20(24)22(18)12-10-6-2/h15-18H,5-14H2,1-4H3
InChIKeyVOWUEQSPDZCCGT-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.84
Rot. Bonds9

About 1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one

1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one (PubChem CID 15563606) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one
PubChem CID15563606
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one
SMILESCCCCN1C(=O)C(CC)CC1C1CC(CC)C(=O)N1CCCC
InChIInChI=1S/C20H36N2O2/c1-5-9-11-21-17(13-15(7-3)19(21)23)18-14-16(8-4)20(24)22(18)12-10-6-2/h15-18H,5-14H2,1-4H3
InChIKeyVOWUEQSPDZCCGT-UHFFFAOYSA-N
XLogP3.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one?
The IUPAC name of 1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one (CID 15563606) is 1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one.
What is the SMILES notation for 1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one?
The canonical SMILES for 1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one is CCCCN1C(=O)C(CC)CC1C1CC(CC)C(=O)N1CCCC.
What is the InChIKey of 1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one?
The InChIKey is VOWUEQSPDZCCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-5-9-11-21-17(13-15(7-3)19(21)23)18-14-16(8-4)20(24)22(18)12-10-6-2/h15-18H,5-14H2,1-4H3.
What are the key properties of 1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one?
1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one has a molecular weight of 336.52 g/mol, XLogP of 3.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(1-butyl-4-ethyl-5-oxopyrrolidin-2-yl)-3-ethylpyrrolidin-2-one is sourced from PubChem (CID 15563606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).