1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C21H23NO2 — CID 171942315

IUPAC1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)c1ccc3c4c(cccc14)CC3)C2
InChIInChI=1S/C21H23NO2/c1-22-16-9-15(10-17(22)12-24-11-16)21(23)19-8-7-14-6-5-13-3-2-4-18(19)20(13)14/h2-4,7-8,15-17H,5-6,9-12H2,1H3
InChIKeyDLIKWHNSPCIRPT-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.23
Rot. Bonds2

About 1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171942315) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171942315
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)c1ccc3c4c(cccc14)CC3)C2
InChIInChI=1S/C21H23NO2/c1-22-16-9-15(10-17(22)12-24-11-16)21(23)19-8-7-14-6-5-13-3-2-4-18(19)20(13)14/h2-4,7-8,15-17H,5-6,9-12H2,1H3
InChIKeyDLIKWHNSPCIRPT-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone
CID 114939130
(4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943190
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-quinolin-4-ylmethanone
CID 171941825
cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone
CID 82646222
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone
CID 115997804
(5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947197
1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone
CID 56755375
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3-phenylphenyl)methanone
CID 171943315
furan-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171938762
1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(1,3-dihydroxypropan-2-yl)piperidin-3-yl]methanone
CID 95551915
dibenzofuran-2-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171939269
(3-ethylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171944473

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of 1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171942315) is 1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for 1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for 1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is CN1C2COCC1CC(C(=O)c1ccc3c4c(cccc14)CC3)C2.
What is the InChIKey of 1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is DLIKWHNSPCIRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-22-16-9-15(10-17(22)12-24-11-16)21(23)19-8-7-14-6-5-13-3-2-4-18(19)20(13)14/h2-4,7-8,15-17H,5-6,9-12H2,1H3.
What are the key properties of 1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171942315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).