1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone

C12H11NO3 — CID 11229685

IUPAC1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone
SMILESCC(=O)c1cc2cc3c(cc2n1C)OCO3
InChIInChI=1S/C12H11NO3/c1-7(14)9-3-8-4-11-12(16-6-15-11)5-10(8)13(9)2/h3-5H,6H2,1-2H3
InChIKeyYTDNCDBLGQYZEV-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.11
Rot. Bonds1

About 1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone

1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone (PubChem CID 11229685) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone
PubChem CID11229685
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone
SMILESCC(=O)c1cc2cc3c(cc2n1C)OCO3
InChIInChI=1S/C12H11NO3/c1-7(14)9-3-8-4-11-12(16-6-15-11)5-10(8)13(9)2/h3-5H,6H2,1-2H3
InChIKeyYTDNCDBLGQYZEV-UHFFFAOYSA-N
XLogP2.11
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethanone
CID 11171971
1-(5,6-dimethyl-[1,3]dioxolo[4,5-f]indol-7-yl)propan-2-one
CID 82497831
[1,3]dioxolo[4,5-f]indole-5-carboxamide
CID 141014414
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-[2-(dimethylamino)ethyl]-1-methylindole-2-carboxamide;hydrochloride
CID 171667414
1,3-benzodioxole-5,6-dicarboxylic acid
CID 610879
1-[4-amino-5-(1,3-benzodioxol-5-yl)-1,2-dimethylpyrrol-3-yl]ethanone
CID 28805801
3-[(7-methyl-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)sulfanyl]propanoic acid
CID 84615011
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenoxy)indole-2-carboxamide
CID 51362396
2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one
CID 162388789
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 6733619
1-(1,3-benzodioxol-5-yl)ethanone;ethene
CID 143061160
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromo-2-methylpropanamide
CID 146349803

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone?
The IUPAC name of 1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone (CID 11229685) is 1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone?
The canonical SMILES for 1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone is CC(=O)c1cc2cc3c(cc2n1C)OCO3.
What is the InChIKey of 1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone?
The InChIKey is YTDNCDBLGQYZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7(14)9-3-8-4-11-12(16-6-15-11)5-10(8)13(9)2/h3-5H,6H2,1-2H3.
What are the key properties of 1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone?
1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone has a molecular weight of 217.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone is sourced from PubChem (CID 11229685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).