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

C12H17NO3 — CID 50877510

IUPAC5-ethyl-9-hydroxy-6-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCCN1C(=O)C2C3CC4C(OC1(C)C42)C3O
InChIInChI=1S/C12H17NO3/c1-3-13-11(15)7-5-4-6-8(7)12(13,2)16-10(6)9(5)14/h5-10,14H,3-4H2,1-2H3
InChIKeyFNTXDTVGOIWNBC-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.21
Rot. Bonds1

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

5-ethyl-9-hydroxy-6-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 50877510) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-ethyl-9-hydroxy-6-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name5-ethyl-9-hydroxy-6-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID50877510
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-ethyl-9-hydroxy-6-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCCN1C(=O)C2C3CC4C(OC1(C)C42)C3O
InChIInChI=1S/C12H17NO3/c1-3-13-11(15)7-5-4-6-8(7)12(13,2)16-10(6)9(5)14/h5-10,14H,3-4H2,1-2H3
InChIKeyFNTXDTVGOIWNBC-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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-9-hydroxy-6-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 5-ethyl-9-hydroxy-6-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 50877510) is 5-ethyl-9-hydroxy-6-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 5-ethyl-9-hydroxy-6-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 5-ethyl-9-hydroxy-6-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is CCN1C(=O)C2C3CC4C(OC1(C)C42)C3O.
What is the InChIKey of 5-ethyl-9-hydroxy-6-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is FNTXDTVGOIWNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-13-11(15)7-5-4-6-8(7)12(13,2)16-10(6)9(5)14/h5-10,14H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-9-hydroxy-6-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
5-ethyl-9-hydroxy-6-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 5-ethyl-9-hydroxy-6-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 50877510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).