3,10a-dihydro-2H-isochromeno[4,3-c]pyridine

C12H11NO — CID 70609566

IUPAC3,10a-dihydro-2H-isochromeno[4,3-c]pyridine
SMILESC1=CC2=COC3=CCNC=C3C2C=C1
InChIInChI=1S/C12H11NO/c1-2-4-10-9(3-1)8-14-12-5-6-13-7-11(10)12/h1-5,7-8,10,13H,6H2
InChIKeyBBOFIERQYDDZTJ-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.01
Rot. Bonds

About 3,10a-dihydro-2H-isochromeno[4,3-c]pyridine

3,10a-dihydro-2H-isochromeno[4,3-c]pyridine (PubChem CID 70609566) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 3,10a-dihydro-2H-isochromeno[4,3-c]pyridine.

Molecular Properties

Compound Name3,10a-dihydro-2H-isochromeno[4,3-c]pyridine
PubChem CID70609566
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name3,10a-dihydro-2H-isochromeno[4,3-c]pyridine
SMILESC1=CC2=COC3=CCNC=C3C2C=C1
InChIInChI=1S/C12H11NO/c1-2-4-10-9(3-1)8-14-12-5-6-13-7-11(10)12/h1-5,7-8,10,13H,6H2
InChIKeyBBOFIERQYDDZTJ-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,10a-dihydro-2H-isochromeno[4,3-c]pyridine?
The IUPAC name of 3,10a-dihydro-2H-isochromeno[4,3-c]pyridine (CID 70609566) is 3,10a-dihydro-2H-isochromeno[4,3-c]pyridine.
What is the SMILES notation for 3,10a-dihydro-2H-isochromeno[4,3-c]pyridine?
The canonical SMILES for 3,10a-dihydro-2H-isochromeno[4,3-c]pyridine is C1=CC2=COC3=CCNC=C3C2C=C1.
What is the InChIKey of 3,10a-dihydro-2H-isochromeno[4,3-c]pyridine?
The InChIKey is BBOFIERQYDDZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-2-4-10-9(3-1)8-14-12-5-6-13-7-11(10)12/h1-5,7-8,10,13H,6H2.
What are the key properties of 3,10a-dihydro-2H-isochromeno[4,3-c]pyridine?
3,10a-dihydro-2H-isochromeno[4,3-c]pyridine has a molecular weight of 185.23 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10a-dihydro-2H-isochromeno[4,3-c]pyridine is sourced from PubChem (CID 70609566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).