1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one

C11H15NO — CID 134285634

IUPAC1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one
SMILESCC(C)C1=NCC(=O)C2=C1CCC2
InChIInChI=1S/C11H15NO/c1-7(2)11-9-5-3-4-8(9)10(13)6-12-11/h7H,3-6H2,1-2H3
InChIKeyYMFXMSCRVVFEFM-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.15
Rot. Bonds1

About 1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one

1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one (PubChem CID 134285634) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one.

Molecular Properties

Compound Name1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one
PubChem CID134285634
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one
SMILESCC(C)C1=NCC(=O)C2=C1CCC2
InChIInChI=1S/C11H15NO/c1-7(2)11-9-5-3-4-8(9)10(13)6-12-11/h7H,3-6H2,1-2H3
InChIKeyYMFXMSCRVVFEFM-UHFFFAOYSA-N
XLogP2.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one?
The IUPAC name of 1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one (CID 134285634) is 1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one.
What is the SMILES notation for 1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one?
The canonical SMILES for 1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one is CC(C)C1=NCC(=O)C2=C1CCC2.
What is the InChIKey of 1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one?
The InChIKey is YMFXMSCRVVFEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7(2)11-9-5-3-4-8(9)10(13)6-12-11/h7H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one?
1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one has a molecular weight of 177.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[c]pyridin-4-one is sourced from PubChem (CID 134285634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).