2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione

C11H12NO2P — CID 143478279

IUPAC2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione
SMILESCN1C(=O)C2=C(C=CC(C)(P)C=C2)C1=O
InChIInChI=1S/C11H12NO2P/c1-11(15)5-3-7-8(4-6-11)10(14)12(2)9(7)13/h3-6H,15H2,1-2H3
InChIKeyPOHDUCQJMZOZAJ-UHFFFAOYSA-N
MW221.20 g/mol
LogP1.04
Rot. Bonds

About 2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione

2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione (PubChem CID 143478279) has the molecular formula C11H12NO2P and a molecular weight of 221.20 g/mol. Its IUPAC name is 2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione
PubChem CID143478279
Molecular FormulaC11H12NO2P
Molecular Weight221.20 g/mol
Exact Mass221.06
IUPAC Name2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione
SMILESCN1C(=O)C2=C(C=CC(C)(P)C=C2)C1=O
InChIInChI=1S/C11H12NO2P/c1-11(15)5-3-7-8(4-6-11)10(14)12(2)9(7)13/h3-6H,15H2,1-2H3
InChIKeyPOHDUCQJMZOZAJ-UHFFFAOYSA-N
XLogP1.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,6,6-trimethylpyridine-2,5-dione
CID 89065763
6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione
CID 142049970
2,5,5-trimethylcyclohepta[c]pyrrole-1,3-dione
CID 129274969
2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione
CID 146915530
diiodovanadium;1-methylpyrrole-2,5-dione
CID 162217566
2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one
CID 143109453
(2S,6S,8R,12R)-1,4,10-trimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 11380676
(3aR,4R,7R,7aR)-2,4,7-trimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 99804025
[(2Z,4E,7Z)-1,6-dimethyl-4-pyrrol-1-ylcycloocta-2,4,7-trien-1-yl]phosphane
CID 143491796
5,6-dichloro-2-methylisoindole-1,3-dione
CID 13152716
methanamine;1-methylpyrrole-2,5-dione;propan-2-one
CID 91192658
2-methyl-8H-pyrrolo[3,4-c]azepine-1,3-dione
CID 142053700

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione?
The IUPAC name of 2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione (CID 143478279) is 2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione?
The canonical SMILES for 2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione is CN1C(=O)C2=C(C=CC(C)(P)C=C2)C1=O.
What is the InChIKey of 2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione?
The InChIKey is POHDUCQJMZOZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO2P/c1-11(15)5-3-7-8(4-6-11)10(14)12(2)9(7)13/h3-6H,15H2,1-2H3.
What are the key properties of 2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione?
2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione has a molecular weight of 221.20 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione is sourced from PubChem (CID 143478279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).