3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one

C10H19NO — CID 172538095

IUPAC3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one
SMILESCCC1C(=O)N(C)CC1C(C)C
InChIInChI=1S/C10H19NO/c1-5-8-9(7(2)3)6-11(4)10(8)12/h7-9H,5-6H2,1-4H3
InChIKeyNGBRCRGXYFGGRX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.76
Rot. Bonds2

About 3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one

3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one (PubChem CID 172538095) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one
PubChem CID172538095
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one
SMILESCCC1C(=O)N(C)CC1C(C)C
InChIInChI=1S/C10H19NO/c1-5-8-9(7(2)3)6-11(4)10(8)12/h7-9H,5-6H2,1-4H3
InChIKeyNGBRCRGXYFGGRX-UHFFFAOYSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 112187
2-Pyrrolidinone, 1-hexyl-
CID 78555
Valeramide, N,N,2-tripropyl-
CID 201025
Valeramide, N,N-diethyl-2-propyl-
CID 209794
N,N-di-n-propyl-2-ethylhexanamide
CID 5056847
US10214537, Example 161
CID 86201975
Valproyl-2-pyrrolidinone
CID 129151
1-(2-Ethylhexyl)pyrrolidin-2-one
CID 15350951
1-(3,7,11,15-Tetramethylhexadecyl)pyrrolidin-2-one
CID 566885
1-Butyl-3-dodecyl-2-pyrrolidone
CID 9922687
2-Pyrrolidinone, 1-(cyclohexylmethyl)-
CID 11805366
1,3,4,5-Tetramethylpyrrolidin-2-one
CID 14767583

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one (CID 172538095) is 3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one is CCC1C(=O)N(C)CC1C(C)C.
What is the InChIKey of 3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is NGBRCRGXYFGGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-8-9(7(2)3)6-11(4)10(8)12/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one?
3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 172538095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).