4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one

C12H23NO — CID 66108525

IUPAC4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCCC1(CC)CC(=O)NC1CC(C)C
InChIInChI=1S/C12H23NO/c1-5-12(6-2)8-11(14)13-10(12)7-9(3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyNGLBSJBRNBZVNV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.73
Rot. Bonds4

About 4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one

4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 66108525) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID66108525
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCCC1(CC)CC(=O)NC1CC(C)C
InChIInChI=1S/C12H23NO/c1-5-12(6-2)8-11(14)13-10(12)7-9(3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyNGLBSJBRNBZVNV-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butan-2-yl-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
CID 66108109
5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one
CID 81251872
1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one
CID 66108752
1-(2-methylpropyl)-8-thia-2-azaspiro[4.5]decan-3-one
CID 66109395
4-(4-ethylphenyl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
CID 66108959
3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione
CID 114867239
4-methyl-5-(2-methylpropyl)-4-(4-propylphenyl)pyrrolidin-2-one
CID 66107225
4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 112586789
1-(2-methylpropyl)-9-oxa-2-azaspiro[4.5]decan-3-one
CID 66108745
4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
CID 66106371
1-(2-methylpropyl)-9,9-dioxo-9λ6-thia-2-azaspiro[4.5]decan-3-one
CID 66108308
4,4-bis(2-methylpropyl)-3-propan-2-ylpiperidine-2,6-dione
CID 114867248

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one (CID 66108525) is 4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one is CCC1(CC)CC(=O)NC1CC(C)C.
What is the InChIKey of 4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is NGLBSJBRNBZVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-12(6-2)8-11(14)13-10(12)7-9(3)4/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one?
4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 66108525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).