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

C12H17NO3 — CID 43859597

IUPAC6-ethyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCCC12OC3C(O)C4CC3C1C4C(=O)N2C
InChIInChI=1S/C12H17NO3/c1-3-12-8-6-4-5(9(14)10(6)16-12)7(8)11(15)13(12)2/h5-10,14H,3-4H2,1-2H3
InChIKeyTZCFVYWDEGHVIS-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.21
Rot. Bonds1

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

6-ethyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859597) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 6-ethyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name6-ethyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859597
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name6-ethyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCCC12OC3C(O)C4CC3C1C4C(=O)N2C
InChIInChI=1S/C12H17NO3/c1-3-12-8-6-4-5(9(14)10(6)16-12)7(8)11(15)13(12)2/h5-10,14H,3-4H2,1-2H3
InChIKeyTZCFVYWDEGHVIS-UHFFFAOYSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 43859584
CID 43859584
CID 43859595
CID 43859595
CID 43859616
CID 43859616
CID 43859631
CID 43859631
CID 50877510
CID 50877510
CID 102484573
CID 102484573
CID 43859582
CID 43859582
CID 43859583
CID 43859583
CID 43859598
CID 43859598
CID 43859599
CID 43859599
CID 43859613
CID 43859613
CID 43859615
CID 43859615

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 6-ethyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859597) is 6-ethyl-9-hydroxy-5-methyl-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-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 6-ethyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is CCC12OC3C(O)C4CC3C1C4C(=O)N2C.
What is the InChIKey of 6-ethyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is TZCFVYWDEGHVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-12-8-6-4-5(9(14)10(6)16-12)7(8)11(15)13(12)2/h5-10,14H,3-4H2,1-2H3.
What are the key properties of 6-ethyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
6-ethyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 223.27 g/mol, XLogP of 0.21, 1 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-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).