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

C11H17N2O2P — CID 138464172

IUPAC1-[(1-phosphanylcycloheptyl)amino]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NC1(P)CCCCCC1
InChIInChI=1S/C11H17N2O2P/c14-9-5-6-10(15)13(9)12-11(16)7-3-1-2-4-8-11/h5-6,12H,1-4,7-8,16H2
InChIKeyCMFSGGBPLAMPAW-UHFFFAOYSA-N
MW240.24 g/mol
LogP1.34
Rot. Bonds2

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

1-[(1-phosphanylcycloheptyl)amino]pyrrole-2,5-dione (PubChem CID 138464172) has the molecular formula C11H17N2O2P and a molecular weight of 240.24 g/mol. Its IUPAC name is 1-[(1-phosphanylcycloheptyl)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1-phosphanylcycloheptyl)amino]pyrrole-2,5-dione
PubChem CID138464172
Molecular FormulaC11H17N2O2P
Molecular Weight240.24 g/mol
Exact Mass240.10
IUPAC Name1-[(1-phosphanylcycloheptyl)amino]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1NC1(P)CCCCCC1
InChIInChI=1S/C11H17N2O2P/c14-9-5-6-10(15)13(9)12-11(16)7-3-1-2-4-8-11/h5-6,12H,1-4,7-8,16H2
InChIKeyCMFSGGBPLAMPAW-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of 1-[(1-phosphanylcycloheptyl)amino]pyrrole-2,5-dione?
The IUPAC name of 1-[(1-phosphanylcycloheptyl)amino]pyrrole-2,5-dione (CID 138464172) is 1-[(1-phosphanylcycloheptyl)amino]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1-phosphanylcycloheptyl)amino]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1-phosphanylcycloheptyl)amino]pyrrole-2,5-dione is O=C1C=CC(=O)N1NC1(P)CCCCCC1.
What is the InChIKey of 1-[(1-phosphanylcycloheptyl)amino]pyrrole-2,5-dione?
The InChIKey is CMFSGGBPLAMPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2O2P/c14-9-5-6-10(15)13(9)12-11(16)7-3-1-2-4-8-11/h5-6,12H,1-4,7-8,16H2.
What are the key properties of 1-[(1-phosphanylcycloheptyl)amino]pyrrole-2,5-dione?
1-[(1-phosphanylcycloheptyl)amino]pyrrole-2,5-dione has a molecular weight of 240.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phosphanylcycloheptyl)amino]pyrrole-2,5-dione is sourced from PubChem (CID 138464172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).