[(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate

C23H19NO6 — CID 27311279

IUPAC[(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
SMILESCC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc(=O)c4ccccc4o3)ccc21
InChIInChI=1S/C23H19NO6/c1-13(22(27)16-7-8-18-15(11-16)9-10-24(18)14(2)25)29-23(28)21-12-19(26)17-5-3-4-6-20(17)30-21/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
InChIKeyIZYRVQCNMJIIKP-CYBMUJFWSA-N
MW405.41 g/mol
LogP3.13
Rot. Bonds4

About [(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate

[(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate (PubChem CID 27311279) has the molecular formula C23H19NO6 and a molecular weight of 405.41 g/mol. Its IUPAC name is [(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
PubChem CID27311279
Molecular FormulaC23H19NO6
Molecular Weight405.41 g/mol
Exact Mass405.12
IUPAC Name[(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
SMILESCC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc(=O)c4ccccc4o3)ccc21
InChIInChI=1S/C23H19NO6/c1-13(22(27)16-7-8-18-15(11-16)9-10-24(18)14(2)25)29-23(28)21-12-19(26)17-5-3-4-6-20(17)30-21/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
InChIKeyIZYRVQCNMJIIKP-CYBMUJFWSA-N
XLogP3.13
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate with MolForge

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Related Compounds

[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 47014314
[(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] isoquinoline-4-carboxylate
CID 97352665
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] isoquinoline-4-carboxylate
CID 75455894
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 24526395
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 46645192
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 42896932
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 46644479
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate
CID 42922160
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 42922290
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 42922485
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 17481049
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate
CID 42922144

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
The IUPAC name of [(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate (CID 27311279) is [(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate is CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc(=O)c4ccccc4o3)ccc21.
What is the InChIKey of [(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
The InChIKey is IZYRVQCNMJIIKP-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H19NO6/c1-13(22(27)16-7-8-18-15(11-16)9-10-24(18)14(2)25)29-23(28)21-12-19(26)17-5-3-4-6-20(17)30-21/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
[(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate has a molecular weight of 405.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 27311279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).