1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one

C16H29N3O2 — CID 173130930

IUPAC1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one
SMILESCCC(CNCC(CC)N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C16H29N3O2/c1-3-13(18-9-5-7-15(18)20)11-17-12-14(4-2)19-10-6-8-16(19)21/h13-14,17H,3-12H2,1-2H3
InChIKeyMJGVYURFVOWHPX-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.38
Rot. Bonds8

About 1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one

1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one (PubChem CID 173130930) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one
PubChem CID173130930
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one
SMILESCCC(CNCC(CC)N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C16H29N3O2/c1-3-13(18-9-5-7-15(18)20)11-17-12-14(4-2)19-10-6-8-16(19)21/h13-14,17H,3-12H2,1-2H3
InChIKeyMJGVYURFVOWHPX-UHFFFAOYSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-hexan-3-yl]pyrrolidin-2-one
CID 142812030
1-(1-aminobutan-2-yl)pyrrolidin-2-one
CID 15788316
1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane
CID 142297493
1-hex-5-en-3-ylpyrrolidin-2-one
CID 66716495
1-decan-3-ylpyrrolidin-2-one
CID 175032444
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
1-(1-aminopentan-2-yl)pyrrolidin-2-one
CID 65191937
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine
CID 62425422
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
acetylene;1-propan-2-ylpyrrolidin-2-one
CID 178109061

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one (CID 173130930) is 1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one is CCC(CNCC(CC)N1CCCC1=O)N1CCCC1=O.
What is the InChIKey of 1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one?
The InChIKey is MJGVYURFVOWHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-13(18-9-5-7-15(18)20)11-17-12-14(4-2)19-10-6-8-16(19)21/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one?
1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one has a molecular weight of 295.43 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 173130930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).