1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone

C15H20N2O2 — CID 117098685

IUPAC1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone
SMILESCOc1cccc2c(C(C)=O)cn(CCN(C)C)c12
InChIInChI=1S/C15H20N2O2/c1-11(18)13-10-17(9-8-16(2)3)15-12(13)6-5-7-14(15)19-4/h5-7,10H,8-9H2,1-4H3
InChIKeyKGBZIBZYSKQQJF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.41
Rot. Bonds5

About 1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone

1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone (PubChem CID 117098685) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone
PubChem CID117098685
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone
SMILESCOc1cccc2c(C(C)=O)cn(CCN(C)C)c12
InChIInChI=1S/C15H20N2O2/c1-11(18)13-10-17(9-8-16(2)3)15-12(13)6-5-7-14(15)19-4/h5-7,10H,8-9H2,1-4H3
InChIKeyKGBZIBZYSKQQJF-UHFFFAOYSA-N
XLogP2.41
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[3-(dimethylamino)propyl]-7-fluoroindol-3-yl]ethanone
CID 117098778
1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
CID 58968072
1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide
CID 58968321
1-[1-[3-[4-(2-chlorophenoxy)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;oxalic acid
CID 161294384
8-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 58968079
2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 83173897
(E)-but-2-enedioic acid;2-(7-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 155527381
1-(1-butyl-7-chloroindol-3-yl)ethanone
CID 117098510
2-[1-[(2-bromophenyl)methyl]-7-methoxyindol-3-yl]-N,N-dimethylethanamine
CID 68568799
ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate
CID 117098558
methyl 3-(7-methoxy-1-methylindol-3-yl)-3-oxopropanoate
CID 82666025
1-(cyclohexylmethyl)-7-methoxyindole-3-carbonyl cyanide
CID 86613200

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone (CID 117098685) is 1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone is COc1cccc2c(C(C)=O)cn(CCN(C)C)c12.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone?
The InChIKey is KGBZIBZYSKQQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(18)13-10-17(9-8-16(2)3)15-12(13)6-5-7-14(15)19-4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone?
1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone has a molecular weight of 260.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 117098685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).