4-(2-ethylbutyl)pyrrolidin-2-one

C10H19NO — CID 11309764

IUPAC4-(2-ethylbutyl)pyrrolidin-2-one
SMILESCCC(CC)CC1CNC(=O)C1
InChIInChI=1S/C10H19NO/c1-3-8(4-2)5-9-6-10(12)11-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyLIMXUQVZHFSXLZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.95
Rot. Bonds4

About 4-(2-ethylbutyl)pyrrolidin-2-one

4-(2-ethylbutyl)pyrrolidin-2-one (PubChem CID 11309764) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(2-ethylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-ethylbutyl)pyrrolidin-2-one
PubChem CID11309764
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(2-ethylbutyl)pyrrolidin-2-one
SMILESCCC(CC)CC1CNC(=O)C1
InChIInChI=1S/C10H19NO/c1-3-8(4-2)5-9-6-10(12)11-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyLIMXUQVZHFSXLZ-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-isobutyloctanamide
CID 230173
N-isobutyl-decanamide
CID 3613503
Valeramide, N,2-dipropyl-
CID 200919
Valeramide, N-butyl-2-propyl-
CID 200921
4-(Propan-2-yl)pyrrolidin-2-one
CID 20976007
2-Azaspiro(4.4)nonan-1-one
CID 21634102
(5S)-5-(propan-2-yl)pyrrolidin-2-one
CID 13082303
N-butylcyclohexanecarboxamide
CID 3544722
4-(2-Methylpropyl)pyrrolidin-2-one
CID 16101323
Pregabalin lactam
CID 16101324
Isononanamide, N-(2-ethylhexyl)-
CID 15334712
Octanamide, N-(5-amino-2-methylpentyl)-
CID 85630598

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutyl)pyrrolidin-2-one?
The IUPAC name of 4-(2-ethylbutyl)pyrrolidin-2-one (CID 11309764) is 4-(2-ethylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-ethylbutyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-ethylbutyl)pyrrolidin-2-one is CCC(CC)CC1CNC(=O)C1.
What is the InChIKey of 4-(2-ethylbutyl)pyrrolidin-2-one?
The InChIKey is LIMXUQVZHFSXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-8(4-2)5-9-6-10(12)11-7-9/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 4-(2-ethylbutyl)pyrrolidin-2-one?
4-(2-ethylbutyl)pyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 11309764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).