2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole

C15H18N3OP — CID 2999121

IUPAC2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole
SMILESCn1cccc1P(=O)(c1cccn1C)c1cccn1C
InChIInChI=1S/C15H18N3OP/c1-16-10-4-7-13(16)20(19,14-8-5-11-17(14)2)15-9-6-12-18(15)3/h4-12H,1-3H3
InChIKeyGVPONYBUXVCKFB-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.34
Rot. Bonds3

About 2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole

2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole (PubChem CID 2999121) has the molecular formula C15H18N3OP and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole.

Molecular Properties

Compound Name2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole
PubChem CID2999121
Molecular FormulaC15H18N3OP
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole
SMILESCn1cccc1P(=O)(c1cccn1C)c1cccn1C
InChIInChI=1S/C15H18N3OP/c1-16-10-4-7-13(16)20(19,14-8-5-11-17(14)2)15-9-6-12-18(15)3/h4-12H,1-3H3
InChIKeyGVPONYBUXVCKFB-UHFFFAOYSA-N
XLogP1.34
TPSA31.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole?
The IUPAC name of 2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole (CID 2999121) is 2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole.
What is the SMILES notation for 2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole?
The canonical SMILES for 2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole is Cn1cccc1P(=O)(c1cccn1C)c1cccn1C.
What is the InChIKey of 2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole?
The InChIKey is GVPONYBUXVCKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N3OP/c1-16-10-4-7-13(16)20(19,14-8-5-11-17(14)2)15-9-6-12-18(15)3/h4-12H,1-3H3.
What are the key properties of 2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole?
2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole has a molecular weight of 287.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(1-methylpyrrol-2-yl)phosphoryl-1-methylpyrrole is sourced from PubChem (CID 2999121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).