1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one

C17H24N2O — CID 91827360

IUPAC1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one
SMILESCCCC(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C17H24N2O/c1-4-5-15(20)10-13-6-7-17-16(11-13)14(12-18-17)8-9-19(2)3/h6-7,11-12,18H,4-5,8-10H2,1-3H3
InChIKeyOQDBJMBOPCUBGS-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.18
Rot. Bonds7

About 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one

1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one (PubChem CID 91827360) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one
PubChem CID91827360
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one
SMILESCCCC(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C17H24N2O/c1-4-5-15(20)10-13-6-7-17-16(11-13)14(12-18-17)8-9-19(2)3/h6-7,11-12,18H,4-5,8-10H2,1-3H3
InChIKeyOQDBJMBOPCUBGS-UHFFFAOYSA-N
XLogP3.18
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one?
The IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one (CID 91827360) is 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one.
What is the SMILES notation for 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one?
The canonical SMILES for 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one is CCCC(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.
What is the InChIKey of 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one?
The InChIKey is OQDBJMBOPCUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-5-15(20)10-13-6-7-17-16(11-13)14(12-18-17)8-9-19(2)3/h6-7,11-12,18H,4-5,8-10H2,1-3H3.
What are the key properties of 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one?
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one has a molecular weight of 272.39 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]pentan-2-one is sourced from PubChem (CID 91827360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).