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

C17H19NO3 — CID 43859591

IUPAC5-(2,4-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCc1ccc(N2C(=O)C3C4CC5C(OC2C53)C4O)c(C)c1
InChIInChI=1S/C17H19NO3/c1-7-3-4-11(8(2)5-7)18-16(20)12-9-6-10-13(12)17(18)21-15(10)14(9)19/h3-5,9-10,12-15,17,19H,6H2,1-2H3
InChIKeyRMZXOSINGIGSPQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.62
Rot. Bonds1

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

5-(2,4-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859591) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859591
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name5-(2,4-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCc1ccc(N2C(=O)C3C4CC5C(OC2C53)C4O)c(C)c1
InChIInChI=1S/C17H19NO3/c1-7-3-4-11(8(2)5-7)18-16(20)12-9-6-10-13(12)17(18)21-15(10)14(9)19/h3-5,9-10,12-15,17,19H,6H2,1-2H3
InChIKeyRMZXOSINGIGSPQ-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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 5-(2,4-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859591) is 5-(2,4-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 5-(2,4-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is Cc1ccc(N2C(=O)C3C4CC5C(OC2C53)C4O)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is RMZXOSINGIGSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-7-3-4-11(8(2)5-7)18-16(20)12-9-6-10-13(12)17(18)21-15(10)14(9)19/h3-5,9-10,12-15,17,19H,6H2,1-2H3.
What are the key properties of 5-(2,4-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
5-(2,4-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-(2,4-dimethylphenyl)-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).