3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide

C11H17NO2 — CID 14395474

IUPAC3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide
SMILESCC[C@@]1(CCC(N)=O)C=CC(=O)CC1
InChIInChI=1S/C11H17NO2/c1-2-11(8-5-10(12)14)6-3-9(13)4-7-11/h3,6H,2,4-5,7-8H2,1H3,(H2,12,14)/t11-/m1/s1
InChIKeyUJZXWUSOXVTEOV-LLVKDONJSA-N
MW195.26 g/mol
LogP1.57
Rot. Bonds4

About 3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide

3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide (PubChem CID 14395474) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide.

Molecular Properties

Compound Name3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide
PubChem CID14395474
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide
SMILESCC[C@@]1(CCC(N)=O)C=CC(=O)CC1
InChIInChI=1S/C11H17NO2/c1-2-11(8-5-10(12)14)6-3-9(13)4-7-11/h3,6H,2,4-5,7-8H2,1H3,(H2,12,14)/t11-/m1/s1
InChIKeyUJZXWUSOXVTEOV-LLVKDONJSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide?
The IUPAC name of 3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide (CID 14395474) is 3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide.
What is the SMILES notation for 3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide?
The canonical SMILES for 3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide is CC[C@@]1(CCC(N)=O)C=CC(=O)CC1.
What is the InChIKey of 3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide?
The InChIKey is UJZXWUSOXVTEOV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-11(8-5-10(12)14)6-3-9(13)4-7-11/h3,6H,2,4-5,7-8H2,1H3,(H2,12,14)/t11-/m1/s1.
What are the key properties of 3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide?
3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide has a molecular weight of 195.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-ethyl-4-oxocyclohex-2-en-1-yl]propanamide is sourced from PubChem (CID 14395474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).