2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene

C22H23NO — CID 134242900

IUPAC2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene
SMILESC1=C(c2ccccc2)COC12CN(CC1CCc3ccccc31)C2
InChIInChI=1S/C22H23NO/c1-2-6-17(7-3-1)20-12-22(24-14-20)15-23(16-22)13-19-11-10-18-8-4-5-9-21(18)19/h1-9,12,19H,10-11,13-16H2
InChIKeyHRIKYWWKBAYIGM-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.88
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene

2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene (PubChem CID 134242900) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene
PubChem CID134242900
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene
SMILESC1=C(c2ccccc2)COC12CN(CC1CCc3ccccc31)C2
InChIInChI=1S/C22H23NO/c1-2-6-17(7-3-1)20-12-22(24-14-20)15-23(16-22)13-19-11-10-18-8-4-5-9-21(18)19/h1-9,12,19H,10-11,13-16H2
InChIKeyHRIKYWWKBAYIGM-UHFFFAOYSA-N
XLogP3.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene (CID 134242900) is 2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene is C1=C(c2ccccc2)COC12CN(CC1CCc3ccccc31)C2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene?
The InChIKey is HRIKYWWKBAYIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-2-6-17(7-3-1)20-12-22(24-14-20)15-23(16-22)13-19-11-10-18-8-4-5-9-21(18)19/h1-9,12,19H,10-11,13-16H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene?
2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene has a molecular weight of 317.43 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-ylmethyl)-7-phenyl-5-oxa-2-azaspiro[3.4]oct-7-ene is sourced from PubChem (CID 134242900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).