1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone

C14H17N3O — CID 112530782

IUPAC1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone
SMILESNC1CCN(C(=O)Cc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C14H17N3O/c15-12-4-6-17(9-12)14(18)8-10-1-2-11-3-5-16-13(11)7-10/h1-3,5,7,12,16H,4,6,8-9,15H2
InChIKeyGXAFANXMAMTLCL-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.27
Rot. Bonds2

About 1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone

1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone (PubChem CID 112530782) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone
PubChem CID112530782
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone
SMILESNC1CCN(C(=O)Cc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C14H17N3O/c15-12-4-6-17(9-12)14(18)8-10-1-2-11-3-5-16-13(11)7-10/h1-3,5,7,12,16H,4,6,8-9,15H2
InChIKeyGXAFANXMAMTLCL-UHFFFAOYSA-N
XLogP1.27
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530969
1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone
CID 112531741
methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate
CID 112531678
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate
CID 84577392
1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 84577281
1-(3-aminopyrrolidin-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone
CID 112530754
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
1-(3-aminopyrrolidin-1-yl)-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119483085
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119934564
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-bromophenyl)ethanone;hydrochloride
CID 119411406
1-(3-aminopyrrolidin-1-yl)-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119482626

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone?
The IUPAC name of 1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone (CID 112530782) is 1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone.
What is the SMILES notation for 1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone?
The canonical SMILES for 1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone is NC1CCN(C(=O)Cc2ccc3cc[nH]c3c2)C1.
What is the InChIKey of 1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone?
The InChIKey is GXAFANXMAMTLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-12-4-6-17(9-12)14(18)8-10-1-2-11-3-5-16-13(11)7-10/h1-3,5,7,12,16H,4,6,8-9,15H2.
What are the key properties of 1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone?
1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone has a molecular weight of 243.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone is sourced from PubChem (CID 112530782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).