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

C12H19N2O2P — CID 138464160

IUPAC1-[(1-phosphanylcyclooctyl)amino]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NC1(P)CCCCCCC1
InChIInChI=1S/C12H19N2O2P/c15-10-6-7-11(16)14(10)13-12(17)8-4-2-1-3-5-9-12/h6-7,13H,1-5,8-9,17H2
InChIKeyVCDKFPAVRLGMFR-UHFFFAOYSA-N
MW254.27 g/mol
LogP1.73
Rot. Bonds2

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

1-[(1-phosphanylcyclooctyl)amino]pyrrole-2,5-dione (PubChem CID 138464160) has the molecular formula C12H19N2O2P and a molecular weight of 254.27 g/mol. Its IUPAC name is 1-[(1-phosphanylcyclooctyl)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1-phosphanylcyclooctyl)amino]pyrrole-2,5-dione
PubChem CID138464160
Molecular FormulaC12H19N2O2P
Molecular Weight254.27 g/mol
Exact Mass254.12
IUPAC Name1-[(1-phosphanylcyclooctyl)amino]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NC1(P)CCCCCCC1
InChIInChI=1S/C12H19N2O2P/c15-10-6-7-11(16)14(10)13-12(17)8-4-2-1-3-5-9-12/h6-7,13H,1-5,8-9,17H2
InChIKeyVCDKFPAVRLGMFR-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Cycloundecylamino)pyrrole-2,5-dione
CID 118508326
1-(Cyclooctylamino)pyrrole-2,5-dione
CID 134377096
1-[(1-Phosphanylcycloheptyl)amino]pyrrole-2,5-dione
CID 138464172

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phosphanylcyclooctyl)amino]pyrrole-2,5-dione?
The IUPAC name of 1-[(1-phosphanylcyclooctyl)amino]pyrrole-2,5-dione (CID 138464160) is 1-[(1-phosphanylcyclooctyl)amino]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1-phosphanylcyclooctyl)amino]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1-phosphanylcyclooctyl)amino]pyrrole-2,5-dione is O=C1C=CC(=O)N1NC1(P)CCCCCCC1.
What is the InChIKey of 1-[(1-phosphanylcyclooctyl)amino]pyrrole-2,5-dione?
The InChIKey is VCDKFPAVRLGMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2O2P/c15-10-6-7-11(16)14(10)13-12(17)8-4-2-1-3-5-9-12/h6-7,13H,1-5,8-9,17H2.
What are the key properties of 1-[(1-phosphanylcyclooctyl)amino]pyrrole-2,5-dione?
1-[(1-phosphanylcyclooctyl)amino]pyrrole-2,5-dione has a molecular weight of 254.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phosphanylcyclooctyl)amino]pyrrole-2,5-dione is sourced from PubChem (CID 138464160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).