3-(2-aminobutyl)pyrrole-2,5-dione

C8H12N2O2 — CID 162540267

IUPAC3-(2-aminobutyl)pyrrole-2,5-dione
SMILESCCC(N)CC1=CC(=O)NC1=O
InChIInChI=1S/C8H12N2O2/c1-2-6(9)3-5-4-7(11)10-8(5)12/h4,6H,2-3,9H2,1H3,(H,10,11,12)
InChIKeyWPDGKKALGQYUHV-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.30
Rot. Bonds3

About 3-(2-aminobutyl)pyrrole-2,5-dione

3-(2-aminobutyl)pyrrole-2,5-dione (PubChem CID 162540267) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-(2-aminobutyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-aminobutyl)pyrrole-2,5-dione
PubChem CID162540267
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-(2-aminobutyl)pyrrole-2,5-dione
SMILESCCC(N)CC1=CC(=O)NC1=O
InChIInChI=1S/C8H12N2O2/c1-2-6(9)3-5-4-7(11)10-8(5)12/h4,6H,2-3,9H2,1H3,(H,10,11,12)
InChIKeyWPDGKKALGQYUHV-UHFFFAOYSA-N
XLogP-0.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-Amino-1-cyclopentene-1-carboxamide
CID 71746978
4-amino-N-methylcyclopentene-1-carboxamide
CID 71746979
4-amino-N-propylcyclopentene-1-carboxamide
CID 71746980
4-amino-N-pentylcyclopentene-1-carboxamide
CID 71746981
N,N-dimethylaminopropylmaleimide
CID 20309086
Butylmaleimide
CID 21880474
3,3'-(Ethane-1,2-diyl)bis(1H-pyrrole-2,5-dione)
CID 22721433
Dimethylaminopropylmaleimide
CID 66615976
1-Methyl-2-ethyl-4-carbamoyl-6-oxodihydropyridine
CID 129714925
(3Z,5R)-5-ethenyl-3-ethylidenepyrrolidin-2-one
CID 178341409
N-[1-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propan-2-yl]acetamide
CID 324586
3-(6-Aminohexyl)pyrrole-2,5-dione
CID 17845332

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2-aminobutyl)pyrrole-2,5-dione (CID 162540267) is 3-(2-aminobutyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-aminobutyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-aminobutyl)pyrrole-2,5-dione is CCC(N)CC1=CC(=O)NC1=O.
What is the InChIKey of 3-(2-aminobutyl)pyrrole-2,5-dione?
The InChIKey is WPDGKKALGQYUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-6(9)3-5-4-7(11)10-8(5)12/h4,6H,2-3,9H2,1H3,(H,10,11,12).
What are the key properties of 3-(2-aminobutyl)pyrrole-2,5-dione?
3-(2-aminobutyl)pyrrole-2,5-dione has a molecular weight of 168.20 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutyl)pyrrole-2,5-dione is sourced from PubChem (CID 162540267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).