ethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane

C11H18NP — CID 153398360

IUPACethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane
SMILESC=Cc1cnc(P)cc1CC.CC
InChIInChI=1S/C9H12NP.C2H6/c1-3-7-5-9(11)10-6-8(7)4-2;1-2/h4-6H,2-3,11H2,1H3;1-2H3
InChIKeyIZMQBGGAQBFKPY-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.81
Rot. Bonds2

About ethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane

ethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane (PubChem CID 153398360) has the molecular formula C11H18NP and a molecular weight of 195.25 g/mol. Its IUPAC name is ethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane.

Molecular Properties

Compound Nameethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane
PubChem CID153398360
Molecular FormulaC11H18NP
Molecular Weight195.25 g/mol
Exact Mass195.12
IUPAC Nameethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane
SMILESC=Cc1cnc(P)cc1CC.CC
InChIInChI=1S/C9H12NP.C2H6/c1-3-7-5-9(11)10-6-8(7)4-2;1-2/h4-6H,2-3,11H2,1H3;1-2H3
InChIKeyIZMQBGGAQBFKPY-UHFFFAOYSA-N
XLogP2.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane?
The IUPAC name of ethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane (CID 153398360) is ethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane.
What is the SMILES notation for ethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane?
The canonical SMILES for ethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane is C=Cc1cnc(P)cc1CC.CC.
What is the InChIKey of ethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane?
The InChIKey is IZMQBGGAQBFKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NP.C2H6/c1-3-7-5-9(11)10-6-8(7)4-2;1-2/h4-6H,2-3,11H2,1H3;1-2H3.
What are the key properties of ethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane?
ethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane has a molecular weight of 195.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5-ethenyl-4-ethyl-2-pyridinyl)phosphane is sourced from PubChem (CID 153398360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).