2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine

C12H15NO — CID 69154227

IUPAC2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine
SMILESC1=CCC2C(=C1)OC=C1NCCCC12
InChIInChI=1S/C12H15NO/c1-2-6-12-10(4-1)9-5-3-7-13-11(9)8-14-12/h1-2,6,8-10,13H,3-5,7H2
InChIKeyPULZCSDTEKFRJG-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.32
Rot. Bonds

About 2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine

2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine (PubChem CID 69154227) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine.

Molecular Properties

Compound Name2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine
PubChem CID69154227
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine
SMILESC1=CCC2C(=C1)OC=C1NCCCC12
InChIInChI=1S/C12H15NO/c1-2-6-12-10(4-1)9-5-3-7-13-11(9)8-14-12/h1-2,6,8-10,13H,3-5,7H2
InChIKeyPULZCSDTEKFRJG-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine?
The IUPAC name of 2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine (CID 69154227) is 2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine.
What is the SMILES notation for 2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine?
The canonical SMILES for 2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine is C1=CCC2C(=C1)OC=C1NCCCC12.
What is the InChIKey of 2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine?
The InChIKey is PULZCSDTEKFRJG-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/h1-2,6,8-10,13H,3-5,7H2.
What are the key properties of 2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine?
2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine has a molecular weight of 189.26 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine is sourced from PubChem (CID 69154227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).