1-(1-aminobutan-2-yl)pyrrolidin-2-one

C8H16N2O — CID 15788316

IUPAC1-(1-aminobutan-2-yl)pyrrolidin-2-one
SMILESCCC(CN)N1CCCC1=O
InChIInChI=1S/C8H16N2O/c1-2-7(6-9)10-5-3-4-8(10)11/h7H,2-6,9H2,1H3
InChIKeyRBKSMIFUYASCHJ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.35
Rot. Bonds3

About 1-(1-aminobutan-2-yl)pyrrolidin-2-one

1-(1-aminobutan-2-yl)pyrrolidin-2-one (PubChem CID 15788316) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(1-aminobutan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-aminobutan-2-yl)pyrrolidin-2-one
PubChem CID15788316
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(1-aminobutan-2-yl)pyrrolidin-2-one
SMILESCCC(CN)N1CCCC1=O
InChIInChI=1S/C8H16N2O/c1-2-7(6-9)10-5-3-4-8(10)11/h7H,2-6,9H2,1H3
InChIKeyRBKSMIFUYASCHJ-UHFFFAOYSA-N
XLogP0.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminopentan-2-yl)pyrrolidin-2-one
CID 65191937
1-[(3R)-hexan-3-yl]pyrrolidin-2-one
CID 142812030
1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one
CID 173130930
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
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
ethane;1-(3-ethyloctan-4-yl)pyrrolidin-2-one
CID 142030366
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
4-(1-aminobutan-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102888626
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminobutan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(1-aminobutan-2-yl)pyrrolidin-2-one (CID 15788316) is 1-(1-aminobutan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-aminobutan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-aminobutan-2-yl)pyrrolidin-2-one is CCC(CN)N1CCCC1=O.
What is the InChIKey of 1-(1-aminobutan-2-yl)pyrrolidin-2-one?
The InChIKey is RBKSMIFUYASCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-7(6-9)10-5-3-4-8(10)11/h7H,2-6,9H2,1H3.
What are the key properties of 1-(1-aminobutan-2-yl)pyrrolidin-2-one?
1-(1-aminobutan-2-yl)pyrrolidin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminobutan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 15788316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).