5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione

C14H15ClN2O3 — CID 104958978

IUPAC5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione
SMILESC[C@@H]1CN(c2cc3c(cc2Cl)C(=O)C(=O)N3)C[C@H](C)O1
InChIInChI=1S/C14H15ClN2O3/c1-7-5-17(6-8(2)20-7)12-4-11-9(3-10(12)15)13(18)14(19)16-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,18,19)/t7-,8+
InChIKeyGLGPQSAJYWKXJS-OCAPTIKFSA-N
MW294.74 g/mol
LogP2.09
Rot. Bonds1

About 5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione

5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione (PubChem CID 104958978) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione
PubChem CID104958978
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione
SMILESC[C@@H]1CN(c2cc3c(cc2Cl)C(=O)C(=O)N3)C[C@H](C)O1
InChIInChI=1S/C14H15ClN2O3/c1-7-5-17(6-8(2)20-7)12-4-11-9(3-10(12)15)13(18)14(19)16-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,18,19)/t7-,8+
InChIKeyGLGPQSAJYWKXJS-OCAPTIKFSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione (CID 104958978) is 5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione is C[C@@H]1CN(c2cc3c(cc2Cl)C(=O)C(=O)N3)C[C@H](C)O1.
What is the InChIKey of 5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione?
The InChIKey is GLGPQSAJYWKXJS-OCAPTIKFSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-7-5-17(6-8(2)20-7)12-4-11-9(3-10(12)15)13(18)14(19)16-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,18,19)/t7-,8+.
What are the key properties of 5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione?
5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione has a molecular weight of 294.74 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione is sourced from PubChem (CID 104958978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).