5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+)

C13H14NO2PW — CID 59786227

IUPAC5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+)
SMILESCc1ccccc1Cc1cc[c-][nH]1.O=[C-]OP.[W+2]
InChIInChI=1S/C12H12N.CH2O2P.W/c1-10-5-2-3-6-11(10)9-12-7-4-8-13-12;2-1-3-4;/h2-7,13H,9H2,1H3;4H2;/q2*-1;+2
InChIKeyGHWYLLUAWPAZFU-UHFFFAOYSA-N
MW431.07 g/mol
LogP2.57
Rot. Bonds3

About 5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+)

5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+) (PubChem CID 59786227) has the molecular formula C13H14NO2PW and a molecular weight of 431.07 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+).

Molecular Properties

Compound Name5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+)
PubChem CID59786227
Molecular FormulaC13H14NO2PW
Molecular Weight431.07 g/mol
Exact Mass431.03
IUPAC Name5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+)
SMILESCc1ccccc1Cc1cc[c-][nH]1.O=[C-]OP.[W+2]
InChIInChI=1S/C12H12N.CH2O2P.W/c1-10-5-2-3-6-11(10)9-12-7-4-8-13-12;2-1-3-4;/h2-7,13H,9H2,1H3;4H2;/q2*-1;+2
InChIKeyGHWYLLUAWPAZFU-UHFFFAOYSA-N
XLogP2.57
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.07
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 23600133
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
butane;ethane;1-ethyl-2-methylbenzene;methane
CID 144514138
potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate
CID 174951239
[5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine
CID 115093018
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CID 102208154

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+)?
The IUPAC name of 5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+) (CID 59786227) is 5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+).
What is the SMILES notation for 5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+)?
The canonical SMILES for 5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+) is Cc1ccccc1Cc1cc[c-][nH]1.O=[C-]OP.[W+2].
What is the InChIKey of 5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+)?
The InChIKey is GHWYLLUAWPAZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N.CH2O2P.W/c1-10-5-2-3-6-11(10)9-12-7-4-8-13-12;2-1-3-4;/h2-7,13H,9H2,1H3;4H2;/q2*-1;+2.
What are the key properties of 5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+)?
5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+) has a molecular weight of 431.07 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methyl]-1,2-dihydropyrrol-2-ide;phosphanyloxymethanone;tungsten(2+) is sourced from PubChem (CID 59786227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).