5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one

C10H13NO — CID 23572850

IUPAC5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
SMILESCC1CC(C)c2c1[nH]ccc2=O
InChIInChI=1S/C10H13NO/c1-6-5-7(2)10-9(6)8(12)3-4-11-10/h3-4,6-7H,5H2,1-2H3,(H,11,12)
InChIKeyNWIZXEROSWQFDQ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.99
Rot. Bonds

About 5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one

5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one (PubChem CID 23572850) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
PubChem CID23572850
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
SMILESCC1CC(C)c2c1[nH]ccc2=O
InChIInChI=1S/C10H13NO/c1-6-5-7(2)10-9(6)8(12)3-4-11-10/h3-4,6-7H,5H2,1-2H3,(H,11,12)
InChIKeyNWIZXEROSWQFDQ-UHFFFAOYSA-N
XLogP1.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
The IUPAC name of 5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one (CID 23572850) is 5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one.
What is the SMILES notation for 5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
The canonical SMILES for 5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one is CC1CC(C)c2c1[nH]ccc2=O.
What is the InChIKey of 5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
The InChIKey is NWIZXEROSWQFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-6-5-7(2)10-9(6)8(12)3-4-11-10/h3-4,6-7H,5H2,1-2H3,(H,11,12).
What are the key properties of 5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one has a molecular weight of 163.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one is sourced from PubChem (CID 23572850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).