1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone

C16H24N2O — CID 125472670

IUPAC1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)[C@](C)(CCN(C)C)CN2C
InChIInChI=1S/C16H24N2O/c1-12(19)13-6-7-15-14(10-13)16(2,11-18(15)5)8-9-17(3)4/h6-7,10H,8-9,11H2,1-5H3/t16-/m1/s1
InChIKeyPDYAFNSWNJJTPG-MRXNPFEDSA-N
MW260.38 g/mol
LogP2.55
Rot. Bonds4

About 1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone

1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone (PubChem CID 125472670) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone
PubChem CID125472670
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)[C@](C)(CCN(C)C)CN2C
InChIInChI=1S/C16H24N2O/c1-12(19)13-6-7-15-14(10-13)16(2,11-18(15)5)8-9-17(3)4/h6-7,10H,8-9,11H2,1-5H3/t16-/m1/s1
InChIKeyPDYAFNSWNJJTPG-MRXNPFEDSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone (CID 125472670) is 1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone is CC(=O)c1ccc2c(c1)[C@](C)(CCN(C)C)CN2C.
What is the InChIKey of 1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone?
The InChIKey is PDYAFNSWNJJTPG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(19)13-6-7-15-14(10-13)16(2,11-18(15)5)8-9-17(3)4/h6-7,10H,8-9,11H2,1-5H3/t16-/m1/s1.
What are the key properties of 1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone?
1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone is sourced from PubChem (CID 125472670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).