(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone

C15H18N2O — CID 113253973

IUPAC(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
SMILESCCC1CCN(C(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C15H18N2O/c1-2-11-7-8-17(10-11)15(18)13-9-16-14-6-4-3-5-12(13)14/h3-6,9,11,16H,2,7-8,10H2,1H3
InChIKeyLVZYHDPUJQBZCD-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.04
Rot. Bonds2

About (3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone

(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone (PubChem CID 113253973) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
PubChem CID113253973
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
SMILESCCC1CCN(C(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C15H18N2O/c1-2-11-7-8-17(10-11)15(18)13-9-16-14-6-4-3-5-12(13)14/h3-6,9,11,16H,2,7-8,10H2,1H3
InChIKeyLVZYHDPUJQBZCD-UHFFFAOYSA-N
XLogP3.04
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 63605636
1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 61171911
1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 91910292
2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile
CID 171512067
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941047
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
1H-indol-3-yl-[(3R)-3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 97329098
1H-indol-3-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626807
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625

Frequently Asked Questions

What is the IUPAC name of (3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone?
The IUPAC name of (3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone (CID 113253973) is (3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone.
What is the SMILES notation for (3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone?
The canonical SMILES for (3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone is CCC1CCN(C(=O)c2c[nH]c3ccccc23)C1.
What is the InChIKey of (3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone?
The InChIKey is LVZYHDPUJQBZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-11-7-8-17(10-11)15(18)13-9-16-14-6-4-3-5-12(13)14/h3-6,9,11,16H,2,7-8,10H2,1H3.
What are the key properties of (3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone?
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone is sourced from PubChem (CID 113253973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).