5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

C17H19NO3 — CID 43859590

IUPAC5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCc1cccc(C)c1N1C(=O)C2C3CC4C(OC1C42)C3O
InChIInChI=1S/C17H19NO3/c1-7-4-3-5-8(2)13(7)18-16(20)11-9-6-10-12(11)17(18)21-15(10)14(9)19/h3-5,9-12,14-15,17,19H,6H2,1-2H3
InChIKeyBGLSTNPZEVOIRO-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.62
Rot. Bonds1

About 5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859590) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859590
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCc1cccc(C)c1N1C(=O)C2C3CC4C(OC1C42)C3O
InChIInChI=1S/C17H19NO3/c1-7-4-3-5-8(2)13(7)18-16(20)11-9-6-10-12(11)17(18)21-15(10)14(9)19/h3-5,9-12,14-15,17,19H,6H2,1-2H3
InChIKeyBGLSTNPZEVOIRO-UHFFFAOYSA-N
XLogP1.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one with MolForge

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Related Compounds

9-Hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859586
9-Hydroxy-5-(4-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859589
5-(4-Bromophenyl)-9-hydroxy-6-isopropyl-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859629
5-(4-Methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-9-ol
CID 91901086
(1R,2R,6S,7S,8S,9R)-8,9-dihydroxy-4-(2-methylphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 100961584
4-[[(1S)-9-hydroxy-3,5-dioxo-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-8-yl]oxy]-4-oxobutanoic acid
CID 166728451
5-Benzyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859585
9-Hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859587
9-Hydroxy-5-(3-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859588
5-(2,4-Dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859591
9-Hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859596
5-Benzyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859600

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859590) is 5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is Cc1cccc(C)c1N1C(=O)C2C3CC4C(OC1C42)C3O.
What is the InChIKey of 5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is BGLSTNPZEVOIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-7-4-3-5-8(2)13(7)18-16(20)11-9-6-10-12(11)17(18)21-15(10)14(9)19/h3-5,9-12,14-15,17,19H,6H2,1-2H3.
What are the key properties of 5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 285.34 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).