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

C9H11NO3 — CID 50877538

IUPAC9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESO=C1NC2OC3C(O)C4CC3C2C14
InChIInChI=1S/C9H11NO3/c11-6-2-1-3-5-4(2)8(12)10-9(5)13-7(3)6/h2-7,9,11H,1H2,(H,10,12)
InChIKeyOEANMAOAMVSSBW-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.92
Rot. Bonds

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

9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 50877538) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID50877538
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESO=C1NC2OC3C(O)C4CC3C2C14
InChIInChI=1S/C9H11NO3/c11-6-2-1-3-5-4(2)8(12)10-9(5)13-7(3)6/h2-7,9,11H,1H2,(H,10,12)
InChIKeyOEANMAOAMVSSBW-UHFFFAOYSA-N
XLogP-0.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 50877538) is 9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is O=C1NC2OC3C(O)C4CC3C2C14.
What is the InChIKey of 9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is OEANMAOAMVSSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-6-2-1-3-5-4(2)8(12)10-9(5)13-7(3)6/h2-7,9,11H,1H2,(H,10,12).
What are the key properties of 9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 181.19 g/mol, XLogP of -0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 50877538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).