1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone

C13H14N2O3 — CID 82498068

IUPAC1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1c[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C13H14N2O3/c1-2-14-6-11(16)9-5-15-10-4-13-12(3-8(9)10)17-7-18-13/h3-5,14-15H,2,6-7H2,1H3
InChIKeyVZQOPJLCDSZJLY-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.69
Rot. Bonds4

About 1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone

1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone (PubChem CID 82498068) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone
PubChem CID82498068
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1c[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C13H14N2O3/c1-2-14-6-11(16)9-5-15-10-4-13-12(3-8(9)10)17-7-18-13/h3-5,14-15H,2,6-7H2,1H3
InChIKeyVZQOPJLCDSZJLY-UHFFFAOYSA-N
XLogP1.69
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 82493978
1-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethanone
CID 82112937
5H-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde
CID 22605383
7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 53337344
1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone
CID 82493050
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(1H-indol-3-yl)ethanone
CID 110655309
2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone
CID 2989682
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158021
N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide
CID 115157761
1-[6-(ethylamino)-1,3-benzodioxol-5-yl]propan-1-one
CID 67560862
2-chloro-1-(5,6-dimethoxy-1H-indol-3-yl)ethanone
CID 907553
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 4856746

Frequently Asked Questions

What is the IUPAC name of 1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone (CID 82498068) is 1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone is CCNCC(=O)c1c[nH]c2cc3c(cc12)OCO3.
What is the InChIKey of 1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone?
The InChIKey is VZQOPJLCDSZJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-14-6-11(16)9-5-15-10-4-13-12(3-8(9)10)17-7-18-13/h3-5,14-15H,2,6-7H2,1H3.
What are the key properties of 1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone?
1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone has a molecular weight of 246.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-2-(ethylamino)ethanone is sourced from PubChem (CID 82498068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).