N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide

C12H19NO2 — CID 15895941

IUPACN-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C1CC=C(C)C(=O)C1
InChIInChI=1S/C12H19NO2/c1-8-5-6-10(7-11(8)15)12(3,4)13-9(2)14/h5,10H,6-7H2,1-4H3,(H,13,14)
InChIKeyCPUGCYHWVUHUPG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.83
Rot. Bonds2

About N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide

N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide (PubChem CID 15895941) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide
PubChem CID15895941
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C1CC=C(C)C(=O)C1
InChIInChI=1S/C12H19NO2/c1-8-5-6-10(7-11(8)15)12(3,4)13-9(2)14/h5,10H,6-7H2,1-4H3,(H,13,14)
InChIKeyCPUGCYHWVUHUPG-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide?
The IUPAC name of N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide (CID 15895941) is N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide is CC(=O)NC(C)(C)C1CC=C(C)C(=O)C1.
What is the InChIKey of N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide?
The InChIKey is CPUGCYHWVUHUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-5-6-10(7-11(8)15)12(3,4)13-9(2)14/h5,10H,6-7H2,1-4H3,(H,13,14).
What are the key properties of N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide?
N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide has a molecular weight of 209.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 15895941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).