3-formyl-1-methylphosphanylindole-5-carbonitrile

C11H9N2OP — CID 143239411

IUPAC3-formyl-1-methylphosphanylindole-5-carbonitrile
SMILESCPn1cc(C=O)c2cc(C#N)ccc21
InChIInChI=1S/C11H9N2OP/c1-15-13-6-9(7-14)10-4-8(5-12)2-3-11(10)13/h2-4,6-7,15H,1H3
InChIKeyVEUBUKIGLUCDAL-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.40
Rot. Bonds2

About 3-formyl-1-methylphosphanylindole-5-carbonitrile

3-formyl-1-methylphosphanylindole-5-carbonitrile (PubChem CID 143239411) has the molecular formula C11H9N2OP and a molecular weight of 216.18 g/mol. Its IUPAC name is 3-formyl-1-methylphosphanylindole-5-carbonitrile.

Molecular Properties

Compound Name3-formyl-1-methylphosphanylindole-5-carbonitrile
PubChem CID143239411
Molecular FormulaC11H9N2OP
Molecular Weight216.18 g/mol
Exact Mass216.05
IUPAC Name3-formyl-1-methylphosphanylindole-5-carbonitrile
SMILESCPn1cc(C=O)c2cc(C#N)ccc21
InChIInChI=1S/C11H9N2OP/c1-15-13-6-9(7-14)10-4-8(5-12)2-3-11(10)13/h2-4,6-7,15H,1H3
InChIKeyVEUBUKIGLUCDAL-UHFFFAOYSA-N
XLogP2.40
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-formylindole-5-carbonitrile
CID 53415945
3-formyl-1-(3-methylbutyl)indole-5-carbonitrile
CID 156780220
4-[(5-ethoxy-3-formylindol-1-yl)methyl]benzonitrile
CID 110832178
4-[(3-formylindol-1-yl)methyl]-3-methylbenzonitrile
CID 114484983
3-formyl-4-hydroxybenzonitrile
CID 11789350
4-(2,6-dimethylmorpholin-4-yl)-3-formylbenzonitrile
CID 18455597
3-[(E)-but-1-enyl]-1-methylindole-5-carbonitrile
CID 46211681
1,5-dimethylindole-3-carbaldehyde
CID 1419073
1-[(N,4-dimethylanilino)methyl]-3-formylindole-6-carbonitrile
CID 71530691
3-bromo-4-formylbenzonitrile
CID 20510518
4-(4-chlorophenyl)-3-formylbenzonitrile
CID 175454533
3-[(E)-but-1-enyl]-4-formylbenzonitrile
CID 145008151

Frequently Asked Questions

What is the IUPAC name of 3-formyl-1-methylphosphanylindole-5-carbonitrile?
The IUPAC name of 3-formyl-1-methylphosphanylindole-5-carbonitrile (CID 143239411) is 3-formyl-1-methylphosphanylindole-5-carbonitrile.
What is the SMILES notation for 3-formyl-1-methylphosphanylindole-5-carbonitrile?
The canonical SMILES for 3-formyl-1-methylphosphanylindole-5-carbonitrile is CPn1cc(C=O)c2cc(C#N)ccc21.
What is the InChIKey of 3-formyl-1-methylphosphanylindole-5-carbonitrile?
The InChIKey is VEUBUKIGLUCDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N2OP/c1-15-13-6-9(7-14)10-4-8(5-12)2-3-11(10)13/h2-4,6-7,15H,1H3.
What are the key properties of 3-formyl-1-methylphosphanylindole-5-carbonitrile?
3-formyl-1-methylphosphanylindole-5-carbonitrile has a molecular weight of 216.18 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-1-methylphosphanylindole-5-carbonitrile is sourced from PubChem (CID 143239411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).