ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone

C16H20N2O4 — CID 174808821

IUPACethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone
SMILESCCOC=O.O=C(c1ccc2[nH]ccc2c1)N1CCOCC1
InChIInChI=1S/C13H14N2O2.C3H6O2/c16-13(15-5-7-17-8-6-15)11-1-2-12-10(9-11)3-4-14-12;1-2-5-3-4/h1-4,9,14H,5-8H2;3H,2H2,1H3
InChIKeyPKYAUPMRFHKOCM-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.82
Rot. Bonds3

About ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone

ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone (PubChem CID 174808821) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Nameethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone
PubChem CID174808821
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nameethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone
SMILESCCOC=O.O=C(c1ccc2[nH]ccc2c1)N1CCOCC1
InChIInChI=1S/C13H14N2O2.C3H6O2/c16-13(15-5-7-17-8-6-15)11-1-2-12-10(9-11)3-4-14-12;1-2-5-3-4/h1-4,9,14H,5-8H2;3H,2H2,1H3
InChIKeyPKYAUPMRFHKOCM-UHFFFAOYSA-N
XLogP1.82
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
ethyl formate;1H-indol-5-amine
CID 157059520
[4-(1H-indole-5-carbonyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 137335812
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
[3-(ethoxymethyl)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(1H-indol-5-yl)methanone
CID 134077623
1H-indol-5-yl-(3-methylmorpholin-4-yl)methanone
CID 63717142
ethyl formate;5-(1-pyrrolidin-1-ylethyl)-1H-indole
CID 160831259
1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 91767064
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
CID 39715931
[(2S,5S)-2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-(1H-indol-5-yl)methanone
CID 124816715

Frequently Asked Questions

What is the IUPAC name of ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone?
The IUPAC name of ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone (CID 174808821) is ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone.
What is the SMILES notation for ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone?
The canonical SMILES for ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone is CCOC=O.O=C(c1ccc2[nH]ccc2c1)N1CCOCC1.
What is the InChIKey of ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone?
The InChIKey is PKYAUPMRFHKOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.C3H6O2/c16-13(15-5-7-17-8-6-15)11-1-2-12-10(9-11)3-4-14-12;1-2-5-3-4/h1-4,9,14H,5-8H2;3H,2H2,1H3.
What are the key properties of ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone?
ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 174808821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).