1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one

C12H11NO — CID 129225328

IUPAC1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one
SMILESCc1c[nH]c2ccc3c(c12)CCC3=O
InChIInChI=1S/C12H11NO/c1-7-6-13-10-4-2-8-9(12(7)10)3-5-11(8)14/h2,4,6,13H,3,5H2,1H3
InChIKeyQHYBPBMIOKJBKM-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.61
Rot. Bonds

About 1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one

1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one (PubChem CID 129225328) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one.

Molecular Properties

Compound Name1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one
PubChem CID129225328
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one
SMILESCc1c[nH]c2ccc3c(c12)CCC3=O
InChIInChI=1S/C12H11NO/c1-7-6-13-10-4-2-8-9(12(7)10)3-5-11(8)14/h2,4,6,13H,3,5H2,1H3
InChIKeyQHYBPBMIOKJBKM-UHFFFAOYSA-N
XLogP2.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one?
The IUPAC name of 1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one (CID 129225328) is 1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one.
What is the SMILES notation for 1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one?
The canonical SMILES for 1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one is Cc1c[nH]c2ccc3c(c12)CCC3=O.
What is the InChIKey of 1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one?
The InChIKey is QHYBPBMIOKJBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-7-6-13-10-4-2-8-9(12(7)10)3-5-11(8)14/h2,4,6,13H,3,5H2,1H3.
What are the key properties of 1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one?
1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one has a molecular weight of 185.23 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7,8-dihydro-3H-cyclopenta[e]indol-6-one is sourced from PubChem (CID 129225328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).