(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone

C24H25NO2 — CID 171945930

IUPAC(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone
SMILESO=C(c1cccc2c1CC=C2)C1CC2COCC(C1)N2Cc1ccccc1
InChIInChI=1S/C24H25NO2/c26-24(23-11-5-9-18-8-4-10-22(18)23)19-12-20-15-27-16-21(13-19)25(20)14-17-6-2-1-3-7-17/h1-9,11,19-21H,10,12-16H2
InChIKeyXEYUODQJBVNIAS-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.12
Rot. Bonds4

About (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone

(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone (PubChem CID 171945930) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone.

Molecular Properties

Compound Name(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone
PubChem CID171945930
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone
SMILESO=C(c1cccc2c1CC=C2)C1CC2COCC(C1)N2Cc1ccccc1
InChIInChI=1S/C24H25NO2/c26-24(23-11-5-9-18-8-4-10-22(18)23)19-12-20-15-27-16-21(13-19)25(20)14-17-6-2-1-3-7-17/h1-9,11,19-21H,10,12-16H2
InChIKeyXEYUODQJBVNIAS-UHFFFAOYSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone with MolForge

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Related Compounds

(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2,3-dimethylphenyl)methanone
CID 171944547
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-phenylphenyl)methanone
CID 171943266
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(4-methylphenyl)methanone
CID 171950841
benzyl 3-(3H-indene-4-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945913
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 171949580
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3-fluorophenyl)methanone
CID 171950932
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(4-ethynylphenyl)methanone
CID 171944672
3-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonyl)benzonitrile
CID 171943764
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3,4-difluoro-2-methylphenyl)methanone
CID 171947495
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 171939643
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 171948181
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-[3-(difluoromethyl)phenyl]methanone
CID 171947714

Frequently Asked Questions

What is the IUPAC name of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone?
The IUPAC name of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone (CID 171945930) is (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone.
What is the SMILES notation for (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone?
The canonical SMILES for (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone is O=C(c1cccc2c1CC=C2)C1CC2COCC(C1)N2Cc1ccccc1.
What is the InChIKey of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone?
The InChIKey is XEYUODQJBVNIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c26-24(23-11-5-9-18-8-4-10-22(18)23)19-12-20-15-27-16-21(13-19)25(20)14-17-6-2-1-3-7-17/h1-9,11,19-21H,10,12-16H2.
What are the key properties of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone?
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone has a molecular weight of 359.47 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3H-inden-4-yl)methanone is sourced from PubChem (CID 171945930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).