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

C16H17NO3 — CID 43859587

IUPAC9-hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCc1ccccc1N1C(=O)C2C3CC4C(OC1C42)C3O
InChIInChI=1S/C16H17NO3/c1-7-4-2-3-5-10(7)17-15(19)11-8-6-9-12(11)16(17)20-14(9)13(8)18/h2-5,8-9,11-14,16,18H,6H2,1H3
InChIKeyQHIBDFMRYPTZTB-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.31
Rot. Bonds1

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

9-hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859587) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 9-hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name9-hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859587
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name9-hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCc1ccccc1N1C(=O)C2C3CC4C(OC1C42)C3O
InChIInChI=1S/C16H17NO3/c1-7-4-2-3-5-10(7)17-15(19)11-8-6-9-12(11)16(17)20-14(9)13(8)18/h2-5,8-9,11-14,16,18H,6H2,1H3
InChIKeyQHIBDFMRYPTZTB-UHFFFAOYSA-N
XLogP1.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 9-hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859587) is 9-hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 9-hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 9-hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is Cc1ccccc1N1C(=O)C2C3CC4C(OC1C42)C3O.
What is the InChIKey of 9-hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is QHIBDFMRYPTZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-7-4-2-3-5-10(7)17-15(19)11-8-6-9-12(11)16(17)20-14(9)13(8)18/h2-5,8-9,11-14,16,18H,6H2,1H3.
What are the key properties of 9-hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
9-hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 271.32 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-5-(2-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).