2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one

C13H13NO — CID 45098944

IUPAC2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one
SMILESCC1Cc2c(n(C)c3ccccc23)C1=O
InChIInChI=1S/C13H13NO/c1-8-7-10-9-5-3-4-6-11(9)14(2)12(10)13(8)15/h3-6,8H,7H2,1-2H3
InChIKeyFKFYRCJRQYQMCZ-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.55
Rot. Bonds

About 2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one

2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one (PubChem CID 45098944) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one.

Molecular Properties

Compound Name2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one
PubChem CID45098944
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one
SMILESCC1Cc2c(n(C)c3ccccc23)C1=O
InChIInChI=1S/C13H13NO/c1-8-7-10-9-5-3-4-6-11(9)14(2)12(10)13(8)15/h3-6,8H,7H2,1-2H3
InChIKeyFKFYRCJRQYQMCZ-UHFFFAOYSA-N
XLogP2.55
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one?
The IUPAC name of 2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one (CID 45098944) is 2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one.
What is the SMILES notation for 2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one?
The canonical SMILES for 2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one is CC1Cc2c(n(C)c3ccccc23)C1=O.
What is the InChIKey of 2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one?
The InChIKey is FKFYRCJRQYQMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-8-7-10-9-5-3-4-6-11(9)14(2)12(10)13(8)15/h3-6,8H,7H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one?
2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one has a molecular weight of 199.25 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,2-dihydrocyclopenta[b]indol-3-one is sourced from PubChem (CID 45098944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).