[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone

C15H19N3O — CID 103975888

IUPAC[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
SMILESCC(N)C1CCN(C(=O)c2cccc3[nH]ccc23)C1
InChIInChI=1S/C15H19N3O/c1-10(16)11-6-8-18(9-11)15(19)13-3-2-4-14-12(13)5-7-17-14/h2-5,7,10-11,17H,6,8-9,16H2,1H3
InChIKeyBKCDNAHPHCJBBV-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.98
Rot. Bonds2

About [3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone

[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone (PubChem CID 103975888) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
PubChem CID103975888
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
SMILESCC(N)C1CCN(C(=O)c2cccc3[nH]ccc23)C1
InChIInChI=1S/C15H19N3O/c1-10(16)11-6-8-18(9-11)15(19)13-3-2-4-14-12(13)5-7-17-14/h2-5,7,10-11,17H,6,8-9,16H2,1H3
InChIKeyBKCDNAHPHCJBBV-UHFFFAOYSA-N
XLogP1.98
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 113360696
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
(2-ethylmorpholin-4-yl)-(1H-indol-4-yl)methanone
CID 43582924
1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968875
1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946391
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 112630543
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
(2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154788336
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 103946512
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830655

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone?
The IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone (CID 103975888) is [3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone?
The canonical SMILES for [3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone is CC(N)C1CCN(C(=O)c2cccc3[nH]ccc23)C1.
What is the InChIKey of [3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone?
The InChIKey is BKCDNAHPHCJBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(16)11-6-8-18(9-11)15(19)13-3-2-4-14-12(13)5-7-17-14/h2-5,7,10-11,17H,6,8-9,16H2,1H3.
What are the key properties of [3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone?
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone has a molecular weight of 257.34 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone is sourced from PubChem (CID 103975888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).