2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine

C12H15NO — CID 67006471

IUPAC2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine
SMILESC1=CC2=C3CCCNC3COC2C=C1
InChIInChI=1S/C12H15NO/c1-2-6-12-10(4-1)9-5-3-7-13-11(9)8-14-12/h1-2,4,6,11-13H,3,5,7-8H2
InChIKeyXAUCUJUODZIVPW-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.56
Rot. Bonds

About 2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine

2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine (PubChem CID 67006471) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine.

Molecular Properties

Compound Name2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine
PubChem CID67006471
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine
SMILESC1=CC2=C3CCCNC3COC2C=C1
InChIInChI=1S/C12H15NO/c1-2-6-12-10(4-1)9-5-3-7-13-11(9)8-14-12/h1-2,4,6,11-13H,3,5,7-8H2
InChIKeyXAUCUJUODZIVPW-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine?
The IUPAC name of 2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine (CID 67006471) is 2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine.
What is the SMILES notation for 2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine?
The canonical SMILES for 2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine is C1=CC2=C3CCCNC3COC2C=C1.
What is the InChIKey of 2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine?
The InChIKey is XAUCUJUODZIVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-6-12-10(4-1)9-5-3-7-13-11(9)8-14-12/h1-2,4,6,11-13H,3,5,7-8H2.
What are the key properties of 2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine?
2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine has a molecular weight of 189.26 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6a-hexahydro-1H-chromeno[3,4-b]pyridine is sourced from PubChem (CID 67006471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).