2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione

C15H23NO2P2 — CID 159271930

IUPAC2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione
SMILESCPCC1CC2C=CC1C2.CPCN1C(=O)C=CC1=O
InChIInChI=1S/C9H15P.C6H8NO2P/c1-10-6-9-5-7-2-3-8(9)4-7;1-10-4-7-5(8)2-3-6(7)9/h2-3,7-10H,4-6H2,1H3;2-3,10H,4H2,1H3
InChIKeyKXUZISWWVRFOTO-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.68
Rot. Bonds4

About 2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione

2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione (PubChem CID 159271930) has the molecular formula C15H23NO2P2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione
PubChem CID159271930
Molecular FormulaC15H23NO2P2
Molecular Weight311.30 g/mol
Exact Mass311.12
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione
SMILESCPCC1CC2C=CC1C2.CPCN1C(=O)C=CC1=O
InChIInChI=1S/C9H15P.C6H8NO2P/c1-10-6-9-5-7-2-3-8(9)4-7;1-10-4-7-5(8)2-3-6(7)9/h2-3,7-10H,4-6H2,1H3;2-3,10H,4H2,1H3
InChIKeyKXUZISWWVRFOTO-UHFFFAOYSA-N
XLogP2.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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 2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione (CID 159271930) is 2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione is CPCC1CC2C=CC1C2.CPCN1C(=O)C=CC1=O.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione?
The InChIKey is KXUZISWWVRFOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15P.C6H8NO2P/c1-10-6-9-5-7-2-3-8(9)4-7;1-10-4-7-5(8)2-3-6(7)9/h2-3,7-10H,4-6H2,1H3;2-3,10H,4H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione?
2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione has a molecular weight of 311.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethyl(methyl)phosphane;1-(methylphosphanylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 159271930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).