(2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one

C21H16N2O3 — CID 504602

IUPAC(2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
SMILESCC(=O)n1cc([C@H]2CC23N=C(c2ccccc2)OC3=O)c2ccccc21
InChIInChI=1S/C21H16N2O3/c1-13(24)23-12-16(15-9-5-6-10-18(15)23)17-11-21(17)20(25)26-19(22-21)14-7-3-2-4-8-14/h2-10,12,17H,11H2,1H3/t17-,21?/m1/s1
InChIKeyCOXOBFSHHBLWJW-OQHSHRKDSA-N
MW344.37 g/mol
LogP3.53
Rot. Bonds2

About (2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one

(2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one (PubChem CID 504602) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one.

Molecular Properties

Compound Name(2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
PubChem CID504602
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name(2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
SMILESCC(=O)n1cc([C@H]2CC23N=C(c2ccccc2)OC3=O)c2ccccc21
InChIInChI=1S/C21H16N2O3/c1-13(24)23-12-16(15-9-5-6-10-18(15)23)17-11-21(17)20(25)26-19(22-21)14-7-3-2-4-8-14/h2-10,12,17H,11H2,1H3/t17-,21?/m1/s1
InChIKeyCOXOBFSHHBLWJW-OQHSHRKDSA-N
XLogP3.53
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
The IUPAC name of (2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one (CID 504602) is (2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one.
What is the SMILES notation for (2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
The canonical SMILES for (2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one is CC(=O)n1cc([C@H]2CC23N=C(c2ccccc2)OC3=O)c2ccccc21.
What is the InChIKey of (2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
The InChIKey is COXOBFSHHBLWJW-OQHSHRKDSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-13(24)23-12-16(15-9-5-6-10-18(15)23)17-11-21(17)20(25)26-19(22-21)14-7-3-2-4-8-14/h2-10,12,17H,11H2,1H3/t17-,21?/m1/s1.
What are the key properties of (2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
(2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one has a molecular weight of 344.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one is sourced from PubChem (CID 504602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).