spiro[adamantane-2,2'-pyrano[2,3-c]pyridine]

C17H19NO — CID 54133864

IUPACspiro[adamantane-2,2'-pyrano[2,3-c]pyridine]
SMILESC1=CC2(Oc3cnccc31)C1CC3CC(C1)CC2C3
InChIInChI=1S/C17H19NO/c1-3-17(19-16-10-18-4-2-13(1)16)14-6-11-5-12(8-14)9-15(17)7-11/h1-4,10-12,14-15H,5-9H2
InChIKeyNWGMPJAWOOYRKG-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.68
Rot. Bonds

About spiro[adamantane-2,2'-pyrano[2,3-c]pyridine]

spiro[adamantane-2,2'-pyrano[2,3-c]pyridine] (PubChem CID 54133864) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is spiro[adamantane-2,2'-pyrano[2,3-c]pyridine].

Molecular Properties

Compound Namespiro[adamantane-2,2'-pyrano[2,3-c]pyridine]
PubChem CID54133864
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Namespiro[adamantane-2,2'-pyrano[2,3-c]pyridine]
SMILESC1=CC2(Oc3cnccc31)C1CC3CC(C1)CC2C3
InChIInChI=1S/C17H19NO/c1-3-17(19-16-10-18-4-2-13(1)16)14-6-11-5-12(8-14)9-15(17)7-11/h1-4,10-12,14-15H,5-9H2
InChIKeyNWGMPJAWOOYRKG-UHFFFAOYSA-N
XLogP3.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[adamantane-2,2'-pyrano[2,3-c]pyridine]?
The IUPAC name of spiro[adamantane-2,2'-pyrano[2,3-c]pyridine] (CID 54133864) is spiro[adamantane-2,2'-pyrano[2,3-c]pyridine].
What is the SMILES notation for spiro[adamantane-2,2'-pyrano[2,3-c]pyridine]?
The canonical SMILES for spiro[adamantane-2,2'-pyrano[2,3-c]pyridine] is C1=CC2(Oc3cnccc31)C1CC3CC(C1)CC2C3.
What is the InChIKey of spiro[adamantane-2,2'-pyrano[2,3-c]pyridine]?
The InChIKey is NWGMPJAWOOYRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-17(19-16-10-18-4-2-13(1)16)14-6-11-5-12(8-14)9-15(17)7-11/h1-4,10-12,14-15H,5-9H2.
What are the key properties of spiro[adamantane-2,2'-pyrano[2,3-c]pyridine]?
spiro[adamantane-2,2'-pyrano[2,3-c]pyridine] has a molecular weight of 253.34 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[adamantane-2,2'-pyrano[2,3-c]pyridine] is sourced from PubChem (CID 54133864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).