3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one

C10H13NO — CID 123692207

IUPAC3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
SMILESCc1c[nH]c2c(c1=O)C(C)CC2
InChIInChI=1S/C10H13NO/c1-6-3-4-8-9(6)10(12)7(2)5-11-8/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyZJGUKKYSBHLNHK-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.73
Rot. Bonds

About 3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one

3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one (PubChem CID 123692207) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
PubChem CID123692207
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
SMILESCc1c[nH]c2c(c1=O)C(C)CC2
InChIInChI=1S/C10H13NO/c1-6-3-4-8-9(6)10(12)7(2)5-11-8/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyZJGUKKYSBHLNHK-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 66618167
1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
CID 55286395
8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 121000728
7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 115417433
2,3-dichloro-5-methyl-1H-pyridin-4-one
CID 138510819
4-ethyl-1,5,7-trimethyl-2,3-dihydro-1H-indene
CID 171537068
ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene
CID 166534855
4,5-dihydroxy-4,5,6,7-tetrahydro-1H-indole-3-carbaldehyde
CID 121434378
5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one
CID 166891852
3,5-dimethyl-1H-pyridin-4-one;ethane
CID 144580025
5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene
CID 166534603
3-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
CID 126628101

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
The IUPAC name of 3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one (CID 123692207) is 3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one.
What is the SMILES notation for 3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
The canonical SMILES for 3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one is Cc1c[nH]c2c(c1=O)C(C)CC2.
What is the InChIKey of 3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
The InChIKey is ZJGUKKYSBHLNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-6-3-4-8-9(6)10(12)7(2)5-11-8/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one has a molecular weight of 163.22 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one is sourced from PubChem (CID 123692207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).