2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone

C19H26N2O — CID 128536291

IUPAC2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone
SMILESCN1CCCC2(CCN(C(=O)C3CCc4ccccc43)C2)C1
InChIInChI=1S/C19H26N2O/c1-20-11-4-9-19(13-20)10-12-21(14-19)18(22)17-8-7-15-5-2-3-6-16(15)17/h2-3,5-6,17H,4,7-14H2,1H3
InChIKeyJLHDFNDMNSWDLP-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.66
Rot. Bonds1

About 2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone

2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone (PubChem CID 128536291) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone
PubChem CID128536291
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone
SMILESCN1CCCC2(CCN(C(=O)C3CCc4ccccc43)C2)C1
InChIInChI=1S/C19H26N2O/c1-20-11-4-9-19(13-20)10-12-21(14-19)18(22)17-8-7-15-5-2-3-6-16(15)17/h2-3,5-6,17H,4,7-14H2,1H3
InChIKeyJLHDFNDMNSWDLP-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone (CID 128536291) is 2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone is CN1CCCC2(CCN(C(=O)C3CCc4ccccc43)C2)C1.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone?
The InChIKey is JLHDFNDMNSWDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-20-11-4-9-19(13-20)10-12-21(14-19)18(22)17-8-7-15-5-2-3-6-16(15)17/h2-3,5-6,17H,4,7-14H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone?
2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone has a molecular weight of 298.43 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-yl-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 128536291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).