2-indol-1-yl-1-pyrrolidin-1-ylethanone

C14H16N2O — CID 5191246

IUPAC2-indol-1-yl-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCCC1
InChIInChI=1S/C14H16N2O/c17-14(15-8-3-4-9-15)11-16-10-7-12-5-1-2-6-13(12)16/h1-2,5-7,10H,3-4,8-9,11H2
InChIKeyBDQGKNPWECYVNK-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.26
Rot. Bonds2

About 2-indol-1-yl-1-pyrrolidin-1-ylethanone

2-indol-1-yl-1-pyrrolidin-1-ylethanone (PubChem CID 5191246) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-indol-1-yl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-pyrrolidin-1-ylethanone
PubChem CID5191246
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-indol-1-yl-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCCC1
InChIInChI=1S/C14H16N2O/c17-14(15-8-3-4-9-15)11-16-10-7-12-5-1-2-6-13(12)16/h1-2,5-7,10H,3-4,8-9,11H2
InChIKeyBDQGKNPWECYVNK-UHFFFAOYSA-N
XLogP2.26
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
CID 86822734
2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 52516114
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone
CID 95759248
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
2-indol-1-yl-1-[4-(2H-triazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 134708113
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
CID 39338416
1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-indol-1-ylethanone
CID 7316989
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 87040579
1-(azepan-1-yl)-2-(6-bromoindol-1-yl)ethanone
CID 116622080

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-indol-1-yl-1-pyrrolidin-1-ylethanone (CID 5191246) is 2-indol-1-yl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-indol-1-yl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-indol-1-yl-1-pyrrolidin-1-ylethanone is O=C(Cn1ccc2ccccc21)N1CCCC1.
What is the InChIKey of 2-indol-1-yl-1-pyrrolidin-1-ylethanone?
The InChIKey is BDQGKNPWECYVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14(15-8-3-4-9-15)11-16-10-7-12-5-1-2-6-13(12)16/h1-2,5-7,10H,3-4,8-9,11H2.
What are the key properties of 2-indol-1-yl-1-pyrrolidin-1-ylethanone?
2-indol-1-yl-1-pyrrolidin-1-ylethanone has a molecular weight of 228.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 5191246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).