1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone

C14H14N2O — CID 2748906

IUPAC1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone
SMILESCC(=O)n1c(C)cc2cc3cc(C)[nH]c3cc21
InChIInChI=1S/C14H14N2O/c1-8-4-11-6-12-5-9(2)16(10(3)17)14(12)7-13(11)15-8/h4-7,15H,1-3H3
InChIKeyUIICRSLSYSVMCM-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.40
Rot. Bonds

About 1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone

1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone (PubChem CID 2748906) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone
PubChem CID2748906
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone
SMILESCC(=O)n1c(C)cc2cc3cc(C)[nH]c3cc21
InChIInChI=1S/C14H14N2O/c1-8-4-11-6-12-5-9(2)16(10(3)17)14(12)7-13(11)15-8/h4-7,15H,1-3H3
InChIKeyUIICRSLSYSVMCM-UHFFFAOYSA-N
XLogP3.40
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone?
The IUPAC name of 1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone (CID 2748906) is 1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone is CC(=O)n1c(C)cc2cc3cc(C)[nH]c3cc21.
What is the InChIKey of 1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone?
The InChIKey is UIICRSLSYSVMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-8-4-11-6-12-5-9(2)16(10(3)17)14(12)7-13(11)15-8/h4-7,15H,1-3H3.
What are the key properties of 1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone?
1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone has a molecular weight of 226.28 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-7H-pyrrolo[3,2-f]indol-1-yl)ethanone is sourced from PubChem (CID 2748906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).