N-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide

C11H20N2O2 — CID 68760679

IUPACN-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide
SMILESCCCCN(C(C)=O)N1CCC(C)C1=O
InChIInChI=1S/C11H20N2O2/c1-4-5-7-12(10(3)14)13-8-6-9(2)11(13)15/h9H,4-8H2,1-3H3
InChIKeyPESBHDRFNDKOQR-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.42
Rot. Bonds4

About N-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide

N-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide (PubChem CID 68760679) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide
PubChem CID68760679
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide
SMILESCCCCN(C(C)=O)N1CCC(C)C1=O
InChIInChI=1S/C11H20N2O2/c1-4-5-7-12(10(3)14)13-8-6-9(2)11(13)15/h9H,4-8H2,1-3H3
InChIKeyPESBHDRFNDKOQR-UHFFFAOYSA-N
XLogP1.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Dimethylamino-but-2-ynyl)-3-methyl-pyrrolidin-2-one
CID 14964499
(3S)-1-[4-(dimethylamino)but-2-ynyl]-3-methylpyrrolidin-2-one
CID 14964497
(3R)-1-[4-(dimethylamino)but-2-ynyl]-3-methylpyrrolidin-2-one
CID 14964498
US10214537, Example 161
CID 86201975
1-(4-Dimethylamino-but-2-ynyl)-4-methyl-pyrrolidin-2-one
CID 14964508
(4R)-1-[4-(dimethylamino)but-2-ynyl]-4-methylpyrrolidin-2-one
CID 14964509
1-(3-Methylbutyl)pyrrolidin-2-one
CID 20389523
1-(2-Methylbutyl)pyrrolidin-2-one
CID 89658712
N-Nitroso-N-(1-methylacetonyl)-3-methylbutylamin
CID 129888610
Azo-methylpyrrolidone
CID 167313258
Trimethyl-[4-(4-methyl-2-oxo-pyrrolidin-1-yl)-but-2-ynyl]-ammonium; iodide
CID 14964511
trimethyl-[4-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]but-2-ynyl]azanium
CID 14964513

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide (CID 68760679) is N-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide is CCCCN(C(C)=O)N1CCC(C)C1=O.
What is the InChIKey of N-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is PESBHDRFNDKOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-5-7-12(10(3)14)13-8-6-9(2)11(13)15/h9H,4-8H2,1-3H3.
What are the key properties of N-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide?
N-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 212.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-methyl-2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 68760679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).