1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione

C11H16N2O3 — CID 58173868

IUPAC1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
SMILESNCC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c12-8-9(14)4-2-1-3-7-13-10(15)5-6-11(13)16/h5-6H,1-4,7-8,12H2
InChIKeyFCWMNMLWVIZQNW-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.00
Rot. Bonds7

About 1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione

1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione (PubChem CID 58173868) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
PubChem CID58173868
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
SMILESNCC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c12-8-9(14)4-2-1-3-7-13-10(15)5-6-11(13)16/h5-6H,1-4,7-8,12H2
InChIKeyFCWMNMLWVIZQNW-UHFFFAOYSA-N
XLogP-0.00
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(12-amino-11-oxododecyl)pyrrole-2,5-dione
CID 58173871
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
CID 170745532
CID 170745532
1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride
CID 172909654
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084354
ethene;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 144940769
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
1-(13-sulfanyltridecyl)pyrrole-2,5-dione
CID 173127544
1-(14-sulfanyltetradecyl)pyrrole-2,5-dione
CID 173127689

Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione?
The IUPAC name of 1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione (CID 58173868) is 1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione is NCC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione?
The InChIKey is FCWMNMLWVIZQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-8-9(14)4-2-1-3-7-13-10(15)5-6-11(13)16/h5-6H,1-4,7-8,12H2.
What are the key properties of 1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione?
1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione has a molecular weight of 224.26 g/mol, XLogP of -0.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione is sourced from PubChem (CID 58173868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).