8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one

C22H25N3O — CID 70272238

IUPAC8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one
SMILESO=C1CC2(CCN1C1Cc3ccccc3C1)CNCN2c1ccccc1
InChIInChI=1S/C22H25N3O/c26-21-14-22(15-23-16-25(22)19-8-2-1-3-9-19)10-11-24(21)20-12-17-6-4-5-7-18(17)13-20/h1-9,20,23H,10-16H2
InChIKeyAIDDZXYCUIEISK-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.58
Rot. Bonds2

About 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one

8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one (PubChem CID 70272238) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one
PubChem CID70272238
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one
SMILESO=C1CC2(CCN1C1Cc3ccccc3C1)CNCN2c1ccccc1
InChIInChI=1S/C22H25N3O/c26-21-14-22(15-23-16-25(22)19-8-2-1-3-9-19)10-11-24(21)20-12-17-6-4-5-7-18(17)13-20/h1-9,20,23H,10-16H2
InChIKeyAIDDZXYCUIEISK-UHFFFAOYSA-N
XLogP2.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one?
The IUPAC name of 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one (CID 70272238) is 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one.
What is the SMILES notation for 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one?
The canonical SMILES for 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one is O=C1CC2(CCN1C1Cc3ccccc3C1)CNCN2c1ccccc1.
What is the InChIKey of 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one?
The InChIKey is AIDDZXYCUIEISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-21-14-22(15-23-16-25(22)19-8-2-1-3-9-19)10-11-24(21)20-12-17-6-4-5-7-18(17)13-20/h1-9,20,23H,10-16H2.
What are the key properties of 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one?
8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one has a molecular weight of 347.46 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1H-inden-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-7-one is sourced from PubChem (CID 70272238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).