2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C11H13N2PS — CID 143534690

IUPAC2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCSc1nc2c(c(CP)c1C#N)CCC2
InChIInChI=1S/C11H13N2PS/c1-15-11-8(5-12)9(6-14)7-3-2-4-10(7)13-11/h2-4,6,14H2,1H3
InChIKeyIPKKJSVFMIWUKS-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.54
Rot. Bonds2

About 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 143534690) has the molecular formula C11H13N2PS and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID143534690
Molecular FormulaC11H13N2PS
Molecular Weight236.28 g/mol
Exact Mass236.05
IUPAC Name2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCSc1nc2c(c(CP)c1C#N)CCC2
InChIInChI=1S/C11H13N2PS/c1-15-11-8(5-12)9(6-14)7-3-2-4-10(7)13-11/h2-4,6,14H2,1H3
InChIKeyIPKKJSVFMIWUKS-UHFFFAOYSA-N
XLogP2.54
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
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 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 143534690) is 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CSc1nc2c(c(CP)c1C#N)CCC2.
What is the InChIKey of 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is IPKKJSVFMIWUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2PS/c1-15-11-8(5-12)9(6-14)7-3-2-4-10(7)13-11/h2-4,6,14H2,1H3.
What are the key properties of 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 236.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-(phosphanylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 143534690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).