1-(cyclononylamino)pyrrole-2,5-dione

C13H20N2O2 — CID 126728799

IUPAC1-(cyclononylamino)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NC1CCCCCCCC1
InChIInChI=1S/C13H20N2O2/c16-12-9-10-13(17)15(12)14-11-7-5-3-1-2-4-6-8-11/h9-11,14H,1-8H2
InChIKeyXRZWKYDHOPKZKV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.92
Rot. Bonds2

About 1-(cyclononylamino)pyrrole-2,5-dione

1-(cyclononylamino)pyrrole-2,5-dione (PubChem CID 126728799) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(cyclononylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(cyclononylamino)pyrrole-2,5-dione
PubChem CID126728799
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(cyclononylamino)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NC1CCCCCCCC1
InChIInChI=1S/C13H20N2O2/c16-12-9-10-13(17)15(12)14-11-7-5-3-1-2-4-6-8-11/h9-11,14H,1-8H2
InChIKeyXRZWKYDHOPKZKV-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-[(2,5-Dioxopyrrol-1-yl)amino]hexylamino]pyrrole-2,5-dione
CID 20209697
1-(Hexylamino)pyrrole-2,5-dione;hydrochloride
CID 68628926
1-(Hexylamino)pyrrole-2,5-dione
CID 68628927
1-(Cyclodecylamino)pyrrole-2,5-dione
CID 118508197
1-(Cycloundecylamino)pyrrole-2,5-dione
CID 118508326
1-(Cyclooctylamino)pyrrole-2,5-dione
CID 134377096
1-[(5-Methylcyclononyl)amino]pyrrole-2,5-dione
CID 134377253
1-(Hexadecylamino)pyrrole-2,5-dione
CID 135205572
1-(Cyclohexylamino)pyrrole-2,5-dione
CID 153254283
1-(Octylamino)pyrrole-2,5-dione
CID 174680463
1-(Dodecylamino)pyrrole-2,5-dione
CID 174692650

Frequently Asked Questions

What is the IUPAC name of 1-(cyclononylamino)pyrrole-2,5-dione?
The IUPAC name of 1-(cyclononylamino)pyrrole-2,5-dione (CID 126728799) is 1-(cyclononylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(cyclononylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-(cyclononylamino)pyrrole-2,5-dione is O=C1C=CC(=O)N1NC1CCCCCCCC1.
What is the InChIKey of 1-(cyclononylamino)pyrrole-2,5-dione?
The InChIKey is XRZWKYDHOPKZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-12-9-10-13(17)15(12)14-11-7-5-3-1-2-4-6-8-11/h9-11,14H,1-8H2.
What are the key properties of 1-(cyclononylamino)pyrrole-2,5-dione?
1-(cyclononylamino)pyrrole-2,5-dione has a molecular weight of 236.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclononylamino)pyrrole-2,5-dione is sourced from PubChem (CID 126728799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).