ethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate

C19H26N2O3 — CID 147030029

IUPACethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CCC2/C=N/CCN1CCOCC1
InChIInChI=1S/C19H26N2O3/c1-2-24-19(22)16-5-6-18-15(13-16)3-4-17(18)14-20-7-8-21-9-11-23-12-10-21/h5-6,13-14,17H,2-4,7-12H2,1H3/b20-14+
InChIKeyAXKKSYBFEOIJJL-XSFVSMFZSA-N
MW330.43 g/mol
LogP2.30
Rot. Bonds6

About ethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate

ethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 147030029) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID147030029
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nameethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CCC2/C=N/CCN1CCOCC1
InChIInChI=1S/C19H26N2O3/c1-2-24-19(22)16-5-6-18-15(13-16)3-4-17(18)14-20-7-8-21-9-11-23-12-10-21/h5-6,13-14,17H,2-4,7-12H2,1H3/b20-14+
InChIKeyAXKKSYBFEOIJJL-XSFVSMFZSA-N
XLogP2.30
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of ethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate (CID 147030029) is ethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for ethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for ethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate is CCOC(=O)c1ccc2c(c1)CCC2/C=N/CCN1CCOCC1.
What is the InChIKey of ethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is AXKKSYBFEOIJJL-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-24-19(22)16-5-6-18-15(13-16)3-4-17(18)14-20-7-8-21-9-11-23-12-10-21/h5-6,13-14,17H,2-4,7-12H2,1H3/b20-14+.
What are the key properties of ethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate?
ethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 147030029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).