9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

C13H19NO3 — CID 43859615

IUPAC9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCC(C)C12OC3C(O)C4CC3C1C4C(=O)N2C
InChIInChI=1S/C13H19NO3/c1-5(2)13-9-7-4-6(10(15)11(7)17-13)8(9)12(16)14(13)3/h5-11,15H,4H2,1-3H3
InChIKeyLRHGNPBDTYXFHG-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.45
Rot. Bonds1

About 9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859615) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859615
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCC(C)C12OC3C(O)C4CC3C1C4C(=O)N2C
InChIInChI=1S/C13H19NO3/c1-5(2)13-9-7-4-6(10(15)11(7)17-13)8(9)12(16)14(13)3/h5-11,15H,4H2,1-3H3
InChIKeyLRHGNPBDTYXFHG-UHFFFAOYSA-N
XLogP0.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859615) is 9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is CC(C)C12OC3C(O)C4CC3C1C4C(=O)N2C.
What is the InChIKey of 9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is LRHGNPBDTYXFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5(2)13-9-7-4-6(10(15)11(7)17-13)8(9)12(16)14(13)3/h5-11,15H,4H2,1-3H3.
What are the key properties of 9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 237.30 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).