2-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one

C12H14NOP — CID 70948193

IUPAC2-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one
SMILESO=C1C2CCC1C(c1ccc(P)nc1)C2
InChIInChI=1S/C12H14NOP/c14-12-7-1-3-9(12)10(5-7)8-2-4-11(15)13-6-8/h2,4,6-7,9-10H,1,3,5,15H2
InChIKeyUZODNRAYDQDVHZ-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.66
Rot. Bonds1

About 2-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one

2-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one (PubChem CID 70948193) has the molecular formula C12H14NOP and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one.

Molecular Properties

Compound Name2-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one
PubChem CID70948193
Molecular FormulaC12H14NOP
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one
SMILESO=C1C2CCC1C(c1ccc(P)nc1)C2
InChIInChI=1S/C12H14NOP/c14-12-7-1-3-9(12)10(5-7)8-2-4-11(15)13-6-8/h2,4,6-7,9-10H,1,3,5,15H2
InChIKeyUZODNRAYDQDVHZ-UHFFFAOYSA-N
XLogP1.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one?
The IUPAC name of 2-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one (CID 70948193) is 2-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one.
What is the SMILES notation for 2-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one?
The canonical SMILES for 2-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one is O=C1C2CCC1C(c1ccc(P)nc1)C2.
What is the InChIKey of 2-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one?
The InChIKey is UZODNRAYDQDVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NOP/c14-12-7-1-3-9(12)10(5-7)8-2-4-11(15)13-6-8/h2,4,6-7,9-10H,1,3,5,15H2.
What are the key properties of 2-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one?
2-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one has a molecular weight of 219.22 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phosphanyl-3-pyridinyl)bicyclo[2.2.1]heptan-7-one is sourced from PubChem (CID 70948193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).