8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one

C13H13NO — CID 22462487

IUPAC8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
SMILESCc1ccc2[nH]c(=O)c3c(c2c1)CCC3
InChIInChI=1S/C13H13NO/c1-8-5-6-12-11(7-8)9-3-2-4-10(9)13(15)14-12/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyKKHMJTPIWOJSSH-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.33
Rot. Bonds

About 8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one

8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one (PubChem CID 22462487) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one.

Molecular Properties

Compound Name8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
PubChem CID22462487
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
SMILESCc1ccc2[nH]c(=O)c3c(c2c1)CCC3
InChIInChI=1S/C13H13NO/c1-8-5-6-12-11(7-8)9-3-2-4-10(9)13(15)14-12/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyKKHMJTPIWOJSSH-UHFFFAOYSA-N
XLogP2.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one?
The IUPAC name of 8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one (CID 22462487) is 8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one.
What is the SMILES notation for 8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one?
The canonical SMILES for 8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one is Cc1ccc2[nH]c(=O)c3c(c2c1)CCC3.
What is the InChIKey of 8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one?
The InChIKey is KKHMJTPIWOJSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-8-5-6-12-11(7-8)9-3-2-4-10(9)13(15)14-12/h5-7H,2-4H2,1H3,(H,14,15).
What are the key properties of 8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one?
8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one has a molecular weight of 199.25 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one is sourced from PubChem (CID 22462487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).