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

C10H13NO — CID 71408696

IUPAC3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one
SMILESCc1cc2c(c(=O)[nH]1)CC(C)C2
InChIInChI=1S/C10H13NO/c1-6-3-8-5-7(2)11-10(12)9(8)4-6/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyYSTOLUMFQVDJMZ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.42
Rot. Bonds

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

3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one (PubChem CID 71408696) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Name3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one
PubChem CID71408696
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one
SMILESCc1cc2c(c(=O)[nH]1)CC(C)C2
InChIInChI=1S/C10H13NO/c1-6-3-8-5-7(2)11-10(12)9(8)4-6/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyYSTOLUMFQVDJMZ-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one?
The IUPAC name of 3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one (CID 71408696) is 3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one.
What is the SMILES notation for 3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one?
The canonical SMILES for 3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one is Cc1cc2c(c(=O)[nH]1)CC(C)C2.
What is the InChIKey of 3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one?
The InChIKey is YSTOLUMFQVDJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-6-3-8-5-7(2)11-10(12)9(8)4-6/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one?
3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one has a molecular weight of 163.22 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one is sourced from PubChem (CID 71408696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).