3-amino-4-pentylpyrrole-2,5-dione

C9H14N2O2 — CID 174783559

IUPAC3-amino-4-pentylpyrrole-2,5-dione
SMILESCCCCCC1=C(N)C(=O)NC1=O
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-6-7(10)9(13)11-8(6)12/h2-5H2,1H3,(H3,10,11,12,13)
InChIKeyGRNZCVKHMFHTTJ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.44
Rot. Bonds4

About 3-amino-4-pentylpyrrole-2,5-dione

3-amino-4-pentylpyrrole-2,5-dione (PubChem CID 174783559) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-amino-4-pentylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-amino-4-pentylpyrrole-2,5-dione
PubChem CID174783559
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-amino-4-pentylpyrrole-2,5-dione
SMILESCCCCCC1=C(N)C(=O)NC1=O
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-6-7(10)9(13)11-8(6)12/h2-5H2,1H3,(H3,10,11,12,13)
InChIKeyGRNZCVKHMFHTTJ-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-pentylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-heptyl-4-methylpyrrole-2,5-dione
CID 19809262
2,3-didecylcyclohexa-2,5-diene-1,4-dione;hydrochloride
CID 175360456
2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one
CID 86058900
3-pentadecylpyrrole-2,5-dione
CID 15598201
3-docosylpyrrole-2,5-dione
CID 57312811
3,4-dioctyl-2,5-bis(trimethylsilyl)cyclopenta-2,4-dien-1-one
CID 101003600
2,3-dipentylcyclopent-2-en-1-one
CID 70016136
2-hexyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 15294744
1,3,5-triamino-2,4,6-tripentylcyclohexa-2,4-diene-1-carbaldehyde
CID 175545229
3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione
CID 139764566
3-methyl-4-octylfuran-2,5-dione
CID 71750494
2-amino-4-hexyl-4-methyl-1H-imidazol-5-one
CID 82997984

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-pentylpyrrole-2,5-dione?
The IUPAC name of 3-amino-4-pentylpyrrole-2,5-dione (CID 174783559) is 3-amino-4-pentylpyrrole-2,5-dione.
What is the SMILES notation for 3-amino-4-pentylpyrrole-2,5-dione?
The canonical SMILES for 3-amino-4-pentylpyrrole-2,5-dione is CCCCCC1=C(N)C(=O)NC1=O.
What is the InChIKey of 3-amino-4-pentylpyrrole-2,5-dione?
The InChIKey is GRNZCVKHMFHTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-4-5-6-7(10)9(13)11-8(6)12/h2-5H2,1H3,(H3,10,11,12,13).
What are the key properties of 3-amino-4-pentylpyrrole-2,5-dione?
3-amino-4-pentylpyrrole-2,5-dione has a molecular weight of 182.22 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-pentylpyrrole-2,5-dione is sourced from PubChem (CID 174783559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).