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

C10H13NO3 — CID 43859582

IUPAC9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCN1C(=O)C2C3CC4C(OC1C42)C3O
InChIInChI=1S/C10H13NO3/c1-11-9(13)5-3-2-4-6(5)10(11)14-8(4)7(3)12/h3-8,10,12H,2H2,1H3
InChIKeyPZJMCWGFKRJURZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.57
Rot. Bonds

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

9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859582) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859582
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCN1C(=O)C2C3CC4C(OC1C42)C3O
InChIInChI=1S/C10H13NO3/c1-11-9(13)5-3-2-4-6(5)10(11)14-8(4)7(3)12/h3-8,10,12H,2H2,1H3
InChIKeyPZJMCWGFKRJURZ-UHFFFAOYSA-N
XLogP-0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-hydroxy-5-methyl-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-isopropyl-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859584
5-Cyclohexyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859595
5-Ethyl-9-hydroxy-6-isopropyl-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859616
5-Cyclohexyl-9-hydroxy-6-isopropyl-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859631
6-ethyl-7-hydroxy-6a-methyloctahydro-5H-2,4-methano-1-oxa-6-azacyclopenta[cd]pentalen-5-one
CID 50877510
(1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 102484573
N,N-Diethyl-6-hydroxy-2-oxohexahydro-3,5-methano-2H-cyclopenta(b)furan-7-carboxamide
CID 23274847
5-Ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859583
6-Ethyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859597
5,6-Diethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859598
6-Ethyl-9-hydroxy-5-isopropyl-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859599
5-Cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859613

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859582) is 9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is CN1C(=O)C2C3CC4C(OC1C42)C3O.
What is the InChIKey of 9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is PZJMCWGFKRJURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-11-9(13)5-3-2-4-6(5)10(11)14-8(4)7(3)12/h3-8,10,12H,2H2,1H3.
What are the key properties of 9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 195.22 g/mol, XLogP of -0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).