1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C15H23N3O — CID 80731918

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCc1nc2c(n1C1CC3CCC1O3)CCNC2
InChIInChI=1S/C15H23N3O/c1-2-3-15-17-11-9-16-7-6-12(11)18(15)13-8-10-4-5-14(13)19-10/h10,13-14,16H,2-9H2,1H3
InChIKeyCUJUJWHKDCJVMH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.97
Rot. Bonds3

About 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 80731918) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID80731918
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCc1nc2c(n1C1CC3CCC1O3)CCNC2
InChIInChI=1S/C15H23N3O/c1-2-3-15-17-11-9-16-7-6-12(11)18(15)13-8-10-4-5-14(13)19-10/h10,13-14,16H,2-9H2,1H3
InChIKeyCUJUJWHKDCJVMH-UHFFFAOYSA-N
XLogP1.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 80731918) is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCc1nc2c(n1C1CC3CCC1O3)CCNC2.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is CUJUJWHKDCJVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-3-15-17-11-9-16-7-6-12(11)18(15)13-8-10-4-5-14(13)19-10/h10,13-14,16H,2-9H2,1H3.
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 261.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 80731918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).