N-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide

C11H15NO3 — CID 93002037

IUPACN-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide
SMILESCC[C@@]1(OC)C=CC(=O)C=C1NC(C)=O
InChIInChI=1S/C11H15NO3/c1-4-11(15-3)6-5-9(14)7-10(11)12-8(2)13/h5-7H,4H2,1-3H3,(H,12,13)/t11-/m1/s1
InChIKeyXVLAQDBLMPHUEN-LLVKDONJSA-N
MW209.24 g/mol
LogP0.94
Rot. Bonds3

About N-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide

N-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide (PubChem CID 93002037) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is N-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide
PubChem CID93002037
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC NameN-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide
SMILESCC[C@@]1(OC)C=CC(=O)C=C1NC(C)=O
InChIInChI=1S/C11H15NO3/c1-4-11(15-3)6-5-9(14)7-10(11)12-8(2)13/h5-7H,4H2,1-3H3,(H,12,13)/t11-/m1/s1
InChIKeyXVLAQDBLMPHUEN-LLVKDONJSA-N
XLogP0.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide?
The IUPAC name of N-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide (CID 93002037) is N-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide.
What is the SMILES notation for N-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide?
The canonical SMILES for N-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide is CC[C@@]1(OC)C=CC(=O)C=C1NC(C)=O.
What is the InChIKey of N-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide?
The InChIKey is XVLAQDBLMPHUEN-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-11(15-3)6-5-9(14)7-10(11)12-8(2)13/h5-7H,4H2,1-3H3,(H,12,13)/t11-/m1/s1.
What are the key properties of N-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide?
N-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide has a molecular weight of 209.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-6-ethyl-6-methoxy-3-oxocyclohexa-1,4-dien-1-yl]acetamide is sourced from PubChem (CID 93002037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).