ethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole

C17H24N2O2 — CID 160831259

IUPACethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole
SMILESCC(c1ccc2[nH]ccc2c1)N1CCCC1.CCOC=O
InChIInChI=1S/C14H18N2.C3H6O2/c1-11(16-8-2-3-9-16)12-4-5-14-13(10-12)6-7-15-14;1-2-5-3-4/h4-7,10-11,15H,2-3,8-9H2,1H3;3H,2H2,1H3
InChIKeySGVGYIVVLPJLIH-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.50
Rot. Bonds4

About ethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole

ethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole (PubChem CID 160831259) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Nameethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole
PubChem CID160831259
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole
SMILESCC(c1ccc2[nH]ccc2c1)N1CCCC1.CCOC=O
InChIInChI=1S/C14H18N2.C3H6O2/c1-11(16-8-2-3-9-16)12-4-5-14-13(10-12)6-7-15-14;1-2-5-3-4/h4-7,10-11,15H,2-3,8-9H2,1H3;3H,2H2,1H3
InChIKeySGVGYIVVLPJLIH-UHFFFAOYSA-N
XLogP3.50
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl formate;1H-indol-5-amine
CID 157059520
ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone
CID 174808821
5,6-dichloro-1H-indole;ethyl formate
CID 174500972
ethyl formate;6-nitro-1H-indole
CID 175264835
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 171277845
[1-[1-(1H-indol-5-yl)ethyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
CID 68771708
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171277846
5-propan-2-yl-1H-indole
CID 10558918
ethyl (3R)-3-amino-2,2-difluoro-3-(1H-indol-5-yl)propanoate
CID 171241453
5-butan-2-yl-1H-indole;molecular hydrogen
CID 144711250
5-(1-chloroethyl)-1H-indole
CID 174700849
(1R)-1-(1H-indol-5-yl)-N-methylethanamine
CID 55276552

Frequently Asked Questions

What is the IUPAC name of ethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole?
The IUPAC name of ethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole (CID 160831259) is ethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole.
What is the SMILES notation for ethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole?
The canonical SMILES for ethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole is CC(c1ccc2[nH]ccc2c1)N1CCCC1.CCOC=O.
What is the InChIKey of ethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole?
The InChIKey is SGVGYIVVLPJLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C3H6O2/c1-11(16-8-2-3-9-16)12-4-5-14-13(10-12)6-7-15-14;1-2-5-3-4/h4-7,10-11,15H,2-3,8-9H2,1H3;3H,2H2,1H3.
What are the key properties of ethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole?
ethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole has a molecular weight of 288.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole is sourced from PubChem (CID 160831259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).