1-(6-aminohexyl)pyrrole-2,5-dione

C10H16N2O2 — CID 23054403

IUPAC1-(6-aminohexyl)pyrrole-2,5-dione
SMILESNCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H16N2O2/c11-7-3-1-2-4-8-12-9(13)5-6-10(12)14/h5-6H,1-4,7-8,11H2
InChIKeyHNWOYAYJUYWRGD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.43
Rot. Bonds6

About 1-(6-aminohexyl)pyrrole-2,5-dione

1-(6-aminohexyl)pyrrole-2,5-dione (PubChem CID 23054403) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(6-aminohexyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(6-aminohexyl)pyrrole-2,5-dione
PubChem CID23054403
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(6-aminohexyl)pyrrole-2,5-dione
SMILESNCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H16N2O2/c11-7-3-1-2-4-8-12-9(13)5-6-10(12)14/h5-6H,1-4,7-8,11H2
InChIKeyHNWOYAYJUYWRGD-UHFFFAOYSA-N
XLogP0.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.43
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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Frequently Asked Questions

What is the IUPAC name of 1-(6-aminohexyl)pyrrole-2,5-dione?
The IUPAC name of 1-(6-aminohexyl)pyrrole-2,5-dione (CID 23054403) is 1-(6-aminohexyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(6-aminohexyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(6-aminohexyl)pyrrole-2,5-dione is NCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(6-aminohexyl)pyrrole-2,5-dione?
The InChIKey is HNWOYAYJUYWRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-7-3-1-2-4-8-12-9(13)5-6-10(12)14/h5-6H,1-4,7-8,11H2.
What are the key properties of 1-(6-aminohexyl)pyrrole-2,5-dione?
1-(6-aminohexyl)pyrrole-2,5-dione has a molecular weight of 196.25 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminohexyl)pyrrole-2,5-dione is sourced from PubChem (CID 23054403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).