(5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone

C15H19N3O — CID 42669611

IUPAC(5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCCn1c(C(=O)N2CCCC2)cc2cc(N)ccc21
InChIInChI=1S/C15H19N3O/c1-2-18-13-6-5-12(16)9-11(13)10-14(18)15(19)17-7-3-4-8-17/h5-6,9-10H,2-4,7-8,16H2,1H3
InChIKeyPSCMGVGNZHSDPW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.48
Rot. Bonds2

About (5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone

(5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 42669611) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID42669611
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCCn1c(C(=O)N2CCCC2)cc2cc(N)ccc21
InChIInChI=1S/C15H19N3O/c1-2-18-13-6-5-12(16)9-11(13)10-14(18)15(19)17-7-3-4-8-17/h5-6,9-10H,2-4,7-8,16H2,1H3
InChIKeyPSCMGVGNZHSDPW-UHFFFAOYSA-N
XLogP2.48
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide
CID 50801918
(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 42806101
[5-amino-1-[(2,5-dimethylphenyl)methyl]indol-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42808876
N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide
CID 83282691
(4-ethylthieno[3,2-b]pyrrol-5-yl)-piperidin-1-ylmethanone
CID 6619973
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
2-cyclohexyl-1-ethylindol-5-amine
CID 67284570
2-benzylsulfanyl-N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 83282695
(1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607135
(7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone
CID 171663017
1,5-diethylindole-2-carboxylic acid;ethane
CID 142207795
3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid
CID 129414879

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone (CID 42669611) is (5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone is CCn1c(C(=O)N2CCCC2)cc2cc(N)ccc21.
What is the InChIKey of (5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is PSCMGVGNZHSDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-18-13-6-5-12(16)9-11(13)10-14(18)15(19)17-7-3-4-8-17/h5-6,9-10H,2-4,7-8,16H2,1H3.
What are the key properties of (5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone?
(5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 257.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42669611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).