7-(2,5-dioxopyrrol-1-yl)heptanoic acid

C11H15NO4 — CID 10513373

IUPAC7-(2,5-dioxopyrrol-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H15NO4/c13-9-6-7-10(14)12(9)8-4-2-1-3-5-11(15)16/h6-7H,1-5,8H2,(H,15,16)
InChIKeyDHELHOUTNAEDJP-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.95
Rot. Bonds7

About 7-(2,5-dioxopyrrol-1-yl)heptanoic acid

7-(2,5-dioxopyrrol-1-yl)heptanoic acid (PubChem CID 10513373) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 7-(2,5-dioxopyrrol-1-yl)heptanoic acid.

Molecular Properties

Compound Name7-(2,5-dioxopyrrol-1-yl)heptanoic acid
PubChem CID10513373
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name7-(2,5-dioxopyrrol-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H15NO4/c13-9-6-7-10(14)12(9)8-4-2-1-3-5-11(15)16/h6-7H,1-5,8H2,(H,15,16)
InChIKeyDHELHOUTNAEDJP-UHFFFAOYSA-N
XLogP0.95
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid
CID 92656
6-Maleimidohexanoic acid
CID 573683
5-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentanoic acid
CID 23273872
AM-10
CID 4618600
4-(N-Maleimidomethyl)cyclohexane-1-carboxylic Acid
CID 11548799
epsilon-N-citraconylaminocaproate
CID 191265
9-(2,5-dioxopyrrol-1-yl)nonanoic Acid
CID 10729548
10-(2,5-dioxopyrrol-1-yl)decanoic Acid
CID 10801786
12-Maleimido-dodecanoic Acid
CID 15256755
7-[Acryloyl(nonyl)amino]heptanoic acid
CID 71399865
Maleimidoundecanoic acid
CID 18477222
Maleimidocaproic acid
CID 22352954

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dioxopyrrol-1-yl)heptanoic acid?
The IUPAC name of 7-(2,5-dioxopyrrol-1-yl)heptanoic acid (CID 10513373) is 7-(2,5-dioxopyrrol-1-yl)heptanoic acid.
What is the SMILES notation for 7-(2,5-dioxopyrrol-1-yl)heptanoic acid?
The canonical SMILES for 7-(2,5-dioxopyrrol-1-yl)heptanoic acid is O=C(O)CCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 7-(2,5-dioxopyrrol-1-yl)heptanoic acid?
The InChIKey is DHELHOUTNAEDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-9-6-7-10(14)12(9)8-4-2-1-3-5-11(15)16/h6-7H,1-5,8H2,(H,15,16).
What are the key properties of 7-(2,5-dioxopyrrol-1-yl)heptanoic acid?
7-(2,5-dioxopyrrol-1-yl)heptanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dioxopyrrol-1-yl)heptanoic acid is sourced from PubChem (CID 10513373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).