2-phosphoroso-1H-indole

C8H6NOP — CID 135398151

IUPAC2-phosphoroso-1H-indole
SMILESO=Pc1cc2ccccc2[nH]1
InChIInChI=1S/C8H6NOP/c10-11-8-5-6-3-1-2-4-7(6)9-8/h1-5,9H
InChIKeyHFGCGQHHSQPOTO-UHFFFAOYSA-N
MW163.12 g/mol
LogP2.08
Rot. Bonds1

About 2-phosphoroso-1H-indole

2-phosphoroso-1H-indole (PubChem CID 135398151) has the molecular formula C8H6NOP and a molecular weight of 163.12 g/mol. Its IUPAC name is 2-phosphoroso-1H-indole.

Molecular Properties

Compound Name2-phosphoroso-1H-indole
PubChem CID135398151
Molecular FormulaC8H6NOP
Molecular Weight163.12 g/mol
Exact Mass163.02
IUPAC Name2-phosphoroso-1H-indole
SMILESO=Pc1cc2ccccc2[nH]1
InChIInChI=1S/C8H6NOP/c10-11-8-5-6-3-1-2-4-7(6)9-8/h1-5,9H
InChIKeyHFGCGQHHSQPOTO-UHFFFAOYSA-N
XLogP2.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1H-indole
CID 11805631
3-(18F)fluoro-1H-quinolin-2-one
CID 158117840
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-hydroxy-1H-quinolin-2-one
CID 818159
2-methyl-1H-indole;hydrofluoride
CID 163912177
benzene;2-methyl-1H-indole
CID 158804583
bis(1H-indol-2-yl)phosphane
CID 151093221
copper bis(2-oxo-1H-quinolin-3-olate)
CID 67199859
1H-indole-2-carbothioic S-acid
CID 4713092
potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
carbamic acid;1H-indol-2-ol
CID 175329326
1H-indol-2-yloxy(oxo)borane
CID 140520231

Frequently Asked Questions

What is the IUPAC name of 2-phosphoroso-1H-indole?
The IUPAC name of 2-phosphoroso-1H-indole (CID 135398151) is 2-phosphoroso-1H-indole.
What is the SMILES notation for 2-phosphoroso-1H-indole?
The canonical SMILES for 2-phosphoroso-1H-indole is O=Pc1cc2ccccc2[nH]1.
What is the InChIKey of 2-phosphoroso-1H-indole?
The InChIKey is HFGCGQHHSQPOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6NOP/c10-11-8-5-6-3-1-2-4-7(6)9-8/h1-5,9H.
What are the key properties of 2-phosphoroso-1H-indole?
2-phosphoroso-1H-indole has a molecular weight of 163.12 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphoroso-1H-indole is sourced from PubChem (CID 135398151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).