bis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone

C15H12N3O3P — CID 57159288

IUPACbis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)P(C(=O)c1cc[nH]c1)C(=O)c1cc[nH]c1
InChIInChI=1S/C15H12N3O3P/c19-13(10-1-4-16-7-10)22(14(20)11-2-5-17-8-11)15(21)12-3-6-18-9-12/h1-9,16-18H
InChIKeyLVAJRNDJUQTXLJ-UHFFFAOYSA-N
MW313.25 g/mol
LogP2.97
Rot. Bonds6

About bis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone

bis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone (PubChem CID 57159288) has the molecular formula C15H12N3O3P and a molecular weight of 313.25 g/mol. Its IUPAC name is bis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Namebis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone
PubChem CID57159288
Molecular FormulaC15H12N3O3P
Molecular Weight313.25 g/mol
Exact Mass313.06
IUPAC Namebis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)P(C(=O)c1cc[nH]c1)C(=O)c1cc[nH]c1
InChIInChI=1S/C15H12N3O3P/c19-13(10-1-4-16-7-10)22(14(20)11-2-5-17-8-11)15(21)12-3-6-18-9-12/h1-9,16-18H
InChIKeyLVAJRNDJUQTXLJ-UHFFFAOYSA-N
XLogP2.97
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone?
The IUPAC name of bis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone (CID 57159288) is bis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for bis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for bis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)P(C(=O)c1cc[nH]c1)C(=O)c1cc[nH]c1.
What is the InChIKey of bis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone?
The InChIKey is LVAJRNDJUQTXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N3O3P/c19-13(10-1-4-16-7-10)22(14(20)11-2-5-17-8-11)15(21)12-3-6-18-9-12/h1-9,16-18H.
What are the key properties of bis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone?
bis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone has a molecular weight of 313.25 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-pyrrole-3-carbonyl)phosphanyl-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 57159288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).