(5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone

C15H19N3O2 — CID 63117810

IUPAC(5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C15H19N3O2/c1-2-12-9-20-6-5-18(12)15(19)14-8-10-7-11(16)3-4-13(10)17-14/h3-4,7-8,12,17H,2,5-6,9,16H2,1H3
InChIKeyPBKSMFPTBWPRTE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.00
Rot. Bonds2

About (5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone

(5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone (PubChem CID 63117810) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone
PubChem CID63117810
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C15H19N3O2/c1-2-12-9-20-6-5-18(12)15(19)14-8-10-7-11(16)3-4-13(10)17-14/h3-4,7-8,12,17H,2,5-6,9,16H2,1H3
InChIKeyPBKSMFPTBWPRTE-UHFFFAOYSA-N
XLogP2.00
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone?
The IUPAC name of (5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone (CID 63117810) is (5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone is CCC1COCCN1C(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of (5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone?
The InChIKey is PBKSMFPTBWPRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-12-9-20-6-5-18(12)15(19)14-8-10-7-11(16)3-4-13(10)17-14/h3-4,7-8,12,17H,2,5-6,9,16H2,1H3.
What are the key properties of (5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone?
(5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 63117810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).