2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one

C14H16N2O3 — CID 162388789

IUPAC2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one
SMILESCC(C(=O)n1ccc2cc3c(cc21)OCO3)N(C)C
InChIInChI=1S/C14H16N2O3/c1-9(15(2)3)14(17)16-5-4-10-6-12-13(7-11(10)16)19-8-18-12/h4-7,9H,8H2,1-3H3
InChIKeyIFSQCUIHQWVAJB-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.96
Rot. Bonds2

About 2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one

2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one (PubChem CID 162388789) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one
PubChem CID162388789
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one
SMILESCC(C(=O)n1ccc2cc3c(cc21)OCO3)N(C)C
InChIInChI=1S/C14H16N2O3/c1-9(15(2)3)14(17)16-5-4-10-6-12-13(7-11(10)16)19-8-18-12/h4-7,9H,8H2,1-3H3
InChIKeyIFSQCUIHQWVAJB-UHFFFAOYSA-N
XLogP1.96
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1,3]dioxolo[4,5-f]indole-5-carboxamide
CID 141014414
(2S)-2-[[1-[(2S)-2-(diethylamino)propanoyl]-5-(trifluoromethoxy)indol-3-yl]methyl-methylamino]-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one
CID 162388832
1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-2-ol
CID 175526039
(2R)-2-(dimethylamino)-1-(5-fluoro-7-methoxyindol-1-yl)propan-1-one
CID 162389061
2-methyl-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propanoic acid
CID 82145526
1,3-benzodioxol-5-yl(indol-1-yl)methanone
CID 11129204
1-(5-methyl-[1,3]dioxolo[4,5-f]indol-6-yl)ethanone
CID 11229685
N,N-bis(2-methylpropyl)benzo[f][1,3]benzodioxole-5-carboxamide
CID 90681775
3-[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 115219608
2-methyl-2-[6-(trifluoromethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propanoic acid
CID 94748801
1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethanone
CID 11171971
N-[1-(1,3-benzodioxol-5-yl)ethyl]imidazole-1-carboxamide
CID 81257632

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one?
The IUPAC name of 2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one (CID 162388789) is 2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one is CC(C(=O)n1ccc2cc3c(cc21)OCO3)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one?
The InChIKey is IFSQCUIHQWVAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(15(2)3)14(17)16-5-4-10-6-12-13(7-11(10)16)19-8-18-12/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one?
2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one has a molecular weight of 260.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-([1,3]dioxolo[4,5-f]indol-5-yl)propan-1-one is sourced from PubChem (CID 162388789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).