ethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+)

C12H24N2W — CID 158839995

IUPACethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+)
SMILES[CH2-]C.[CH2-]CN1CCC2CCN(C)C2C1.[W+2]
InChIInChI=1S/C10H19N2.C2H5.W/c1-3-12-7-5-9-4-6-11(2)10(9)8-12;1-2;/h9-10H,1,3-8H2,2H3;1H2,2H3;/q2*-1;+2
InChIKeyIYCQWTQJDYHXNS-UHFFFAOYSA-N
MW380.18 g/mol
LogP1.68
Rot. Bonds1

About ethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+)

ethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+) (PubChem CID 158839995) has the molecular formula C12H24N2W and a molecular weight of 380.18 g/mol. Its IUPAC name is ethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+).

Molecular Properties

Compound Nameethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+)
PubChem CID158839995
Molecular FormulaC12H24N2W
Molecular Weight380.18 g/mol
Exact Mass380.14
IUPAC Nameethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+)
SMILES[CH2-]C.[CH2-]CN1CCC2CCN(C)C2C1.[W+2]
InChIInChI=1S/C10H19N2.C2H5.W/c1-3-12-7-5-9-4-6-11(2)10(9)8-12;1-2;/h9-10H,1,3-8H2,2H3;1H2,2H3;/q2*-1;+2
InChIKeyIYCQWTQJDYHXNS-UHFFFAOYSA-N
XLogP1.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+)?
The IUPAC name of ethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+) (CID 158839995) is ethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+).
What is the SMILES notation for ethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+)?
The canonical SMILES for ethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+) is [CH2-]C.[CH2-]CN1CCC2CCN(C)C2C1.[W+2].
What is the InChIKey of ethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+)?
The InChIKey is IYCQWTQJDYHXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2.C2H5.W/c1-3-12-7-5-9-4-6-11(2)10(9)8-12;1-2;/h9-10H,1,3-8H2,2H3;1H2,2H3;/q2*-1;+2.
What are the key properties of ethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+)?
ethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+) has a molecular weight of 380.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+) is sourced from PubChem (CID 158839995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).