3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one

C11H15NO — CID 5325715

IUPAC3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one
SMILESCC(C)c1cc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C11H15NO/c1-7(2)10-6-8-4-3-5-9(8)11(13)12-10/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyKIZFNURRZNKMAN-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.99
Rot. Bonds1

About 3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one

3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one (PubChem CID 5325715) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Name3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one
PubChem CID5325715
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one
SMILESCC(C)c1cc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C11H15NO/c1-7(2)10-6-8-4-3-5-9(8)11(13)12-10/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyKIZFNURRZNKMAN-UHFFFAOYSA-N
XLogP1.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one?
The IUPAC name of 3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one (CID 5325715) is 3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one.
What is the SMILES notation for 3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one?
The canonical SMILES for 3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one is CC(C)c1cc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one?
The InChIKey is KIZFNURRZNKMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7(2)10-6-8-4-3-5-9(8)11(13)12-10/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one?
3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one has a molecular weight of 177.25 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one is sourced from PubChem (CID 5325715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).