1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine

C11H17N — CID 58157150

IUPAC1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine
SMILESCC(C)N1CCCC2=C1CC=C2
InChIInChI=1S/C11H17N/c1-9(2)12-8-4-6-10-5-3-7-11(10)12/h3,5,9H,4,6-8H2,1-2H3
InChIKeyDGQUIDAINHQWHU-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.70
Rot. Bonds1

About 1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine

1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine (PubChem CID 58157150) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine
PubChem CID58157150
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine
SMILESCC(C)N1CCCC2=C1CC=C2
InChIInChI=1S/C11H17N/c1-9(2)12-8-4-6-10-5-3-7-11(10)12/h3,5,9H,4,6-8H2,1-2H3
InChIKeyDGQUIDAINHQWHU-UHFFFAOYSA-N
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine?
The IUPAC name of 1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine (CID 58157150) is 1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine.
What is the SMILES notation for 1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine?
The canonical SMILES for 1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine is CC(C)N1CCCC2=C1CC=C2.
What is the InChIKey of 1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine?
The InChIKey is DGQUIDAINHQWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)12-8-4-6-10-5-3-7-11(10)12/h3,5,9H,4,6-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine?
1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine has a molecular weight of 163.26 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine is sourced from PubChem (CID 58157150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).