1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine

C19H19NO — CID 70563486

IUPAC1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine
SMILESC1=C2C(CCCN2Cc2ccccc2)Oc2ccccc21
InChIInChI=1S/C19H19NO/c1-2-7-15(8-3-1)14-20-12-6-11-19-17(20)13-16-9-4-5-10-18(16)21-19/h1-5,7-10,13,19H,6,11-12,14H2
InChIKeySMMAXJDBUIATHB-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.08
Rot. Bonds2

About 1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine

1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine (PubChem CID 70563486) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine.

Molecular Properties

Compound Name1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine
PubChem CID70563486
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine
SMILESC1=C2C(CCCN2Cc2ccccc2)Oc2ccccc21
InChIInChI=1S/C19H19NO/c1-2-7-15(8-3-1)14-20-12-6-11-19-17(20)13-16-9-4-5-10-18(16)21-19/h1-5,7-10,13,19H,6,11-12,14H2
InChIKeySMMAXJDBUIATHB-UHFFFAOYSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine?
The IUPAC name of 1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine (CID 70563486) is 1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine.
What is the SMILES notation for 1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine?
The canonical SMILES for 1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine is C1=C2C(CCCN2Cc2ccccc2)Oc2ccccc21.
What is the InChIKey of 1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine?
The InChIKey is SMMAXJDBUIATHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-7-15(8-3-1)14-20-12-6-11-19-17(20)13-16-9-4-5-10-18(16)21-19/h1-5,7-10,13,19H,6,11-12,14H2.
What are the key properties of 1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine?
1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine has a molecular weight of 277.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3,4,4a-tetrahydrochromeno[3,2-b]pyridine is sourced from PubChem (CID 70563486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).