4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine

C12H13NO — CID 4127040

IUPAC4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine
SMILESCC1CNCc2c1oc1ccccc21
InChIInChI=1S/C12H13NO/c1-8-6-13-7-10-9-4-2-3-5-11(9)14-12(8)10/h2-5,8,13H,6-7H2,1H3
InChIKeyXIQGIXNRHOALAD-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.64
Rot. Bonds

About 4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine

4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine (PubChem CID 4127040) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine
PubChem CID4127040
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine
SMILESCC1CNCc2c1oc1ccccc21
InChIInChI=1S/C12H13NO/c1-8-6-13-7-10-9-4-2-3-5-11(9)14-12(8)10/h2-5,8,13H,6-7H2,1H3
InChIKeyXIQGIXNRHOALAD-UHFFFAOYSA-N
XLogP2.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine (CID 4127040) is 4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine is CC1CNCc2c1oc1ccccc21.
What is the InChIKey of 4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine?
The InChIKey is XIQGIXNRHOALAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-6-13-7-10-9-4-2-3-5-11(9)14-12(8)10/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine?
4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine has a molecular weight of 187.24 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 4127040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).