4-amino-1-pyrrolidin-1-ylbutan-1-one

C8H16N2O — CID 22692128

IUPAC4-amino-1-pyrrolidin-1-ylbutan-1-one
SMILESNCCCC(=O)N1CCCC1
InChIInChI=1S/C8H16N2O/c9-5-3-4-8(11)10-6-1-2-7-10/h1-7,9H2
InChIKeyPQXWFFNPZFYZAZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.35
Rot. Bonds3

About 4-amino-1-pyrrolidin-1-ylbutan-1-one

4-amino-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 22692128) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-amino-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-pyrrolidin-1-ylbutan-1-one
PubChem CID22692128
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-amino-1-pyrrolidin-1-ylbutan-1-one
SMILESNCCCC(=O)N1CCCC1
InChIInChI=1S/C8H16N2O/c9-5-3-4-8(11)10-6-1-2-7-10/h1-7,9H2
InChIKeyPQXWFFNPZFYZAZ-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

2-Pyrrolidone
CID 12025
1-(2-Aminoethyl)pyrrolidin-2-one
CID 90660
N-(3-(2-Oxo-1-pyrrolidinyl)propyl)acetamide
CID 129397
1-(3-Aminopropyl)-2-pyrrolidinone
CID 82111
1-Pyrrolidineacetamide, N-(2-amino-2-oxoethyl)-2-oxo-
CID 3048833
2-Pyrrolidinone, 1-[3-(dimethylamino)propyl]-
CID 81848
2-Oxo-1-pyrrolidinebutyramide
CID 294855
Propanenitrile, 3-(2-(2-oxo-1-pyrrolidinyl)ethyl)amino-, monohydrochloride
CID 2847564
Butyramide, N-(4-(1-pyrrolidinyl)-2-butynyl)-
CID 27252
Acetamide, N-(2-(2-oxo-1-pyrrolidinyl)ethyl)-
CID 49385
2-Pyrrolidinone, 1-(2-aminoethyl)-, monohydrochloride
CID 3022039
2-Pyrrolidinone, 1-(4-aminobutyl)-
CID 3041220

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-1-pyrrolidin-1-ylbutan-1-one (CID 22692128) is 4-amino-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-1-pyrrolidin-1-ylbutan-1-one is NCCCC(=O)N1CCCC1.
What is the InChIKey of 4-amino-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is PQXWFFNPZFYZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-5-3-4-8(11)10-6-1-2-7-10/h1-7,9H2.
What are the key properties of 4-amino-1-pyrrolidin-1-ylbutan-1-one?
4-amino-1-pyrrolidin-1-ylbutan-1-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 4-amino-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 22692128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).