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

C14H21NO3 — CID 43859599

IUPAC6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCCC12OC3C(O)C4CC3C1C4C(=O)N2C(C)C
InChIInChI=1S/C14H21NO3/c1-4-14-10-8-5-7(11(16)12(8)18-14)9(10)13(17)15(14)6(2)3/h6-12,16H,4-5H2,1-3H3
InChIKeySLSXWDFLKWDBEQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.99
Rot. Bonds2

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

6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859599) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859599
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCCC12OC3C(O)C4CC3C1C4C(=O)N2C(C)C
InChIInChI=1S/C14H21NO3/c1-4-14-10-8-5-7(11(16)12(8)18-14)9(10)13(17)15(14)6(2)3/h6-12,16H,4-5H2,1-3H3
InChIKeySLSXWDFLKWDBEQ-UHFFFAOYSA-N
XLogP0.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-9-hydroxy-5-propan-2-yl-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
9-Hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859582
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
5-Cyclohexyl-6-ethyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.0~2,6~.0~3,10~]undecan-4-one
CID 43859613
9-Hydroxy-5-methyl-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859615
9-Hydroxy-5,6-di(propan-2-yl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859617

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859599) is 6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is CCC12OC3C(O)C4CC3C1C4C(=O)N2C(C)C.
What is the InChIKey of 6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is SLSXWDFLKWDBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-14-10-8-5-7(11(16)12(8)18-14)9(10)13(17)15(14)6(2)3/h6-12,16H,4-5H2,1-3H3.
What are the key properties of 6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 251.33 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).