1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione

C14H22N2O2 — CID 134377253

IUPAC1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione
SMILESCC1CCCCC(NN2C(=O)C=CC2=O)CCC1
InChIInChI=1S/C14H22N2O2/c1-11-5-2-3-7-12(8-4-6-11)15-16-13(17)9-10-14(16)18/h9-12,15H,2-8H2,1H3
InChIKeyCVPLETSWBCPJRA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.16
Rot. Bonds2

About 1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione

1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione (PubChem CID 134377253) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione
PubChem CID134377253
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione
SMILESCC1CCCCC(NN2C(=O)C=CC2=O)CCC1
InChIInChI=1S/C14H22N2O2/c1-11-5-2-3-7-12(8-4-6-11)15-16-13(17)9-10-14(16)18/h9-12,15H,2-8H2,1H3
InChIKeyCVPLETSWBCPJRA-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.16
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-(Cycloundecylamino)pyrrole-2,5-dione
CID 118508326
1-(Cyclononylamino)pyrrole-2,5-dione
CID 126728799
1-(Cyclohexylmethylamino)pyrrole-2,5-dione
CID 174488168

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione?
The IUPAC name of 1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione (CID 134377253) is 1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione?
The canonical SMILES for 1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione is CC1CCCCC(NN2C(=O)C=CC2=O)CCC1.
What is the InChIKey of 1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione?
The InChIKey is CVPLETSWBCPJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-5-2-3-7-12(8-4-6-11)15-16-13(17)9-10-14(16)18/h9-12,15H,2-8H2,1H3.
What are the key properties of 1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione?
1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylcyclononyl)amino]pyrrole-2,5-dione is sourced from PubChem (CID 134377253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).