N-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide

C10H13NO2 — CID 34179118

IUPACN-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide
SMILESC=C(NC(C)=O)C1=CC(=O)CCC1
InChIInChI=1S/C10H13NO2/c1-7(11-8(2)12)9-4-3-5-10(13)6-9/h6H,1,3-5H2,2H3,(H,11,12)
InChIKeyNTTOBMRUPOTBQA-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.32
Rot. Bonds2

About N-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide

N-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide (PubChem CID 34179118) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide
PubChem CID34179118
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide
SMILESC=C(NC(C)=O)C1=CC(=O)CCC1
InChIInChI=1S/C10H13NO2/c1-7(11-8(2)12)9-4-3-5-10(13)6-9/h6H,1,3-5H2,2H3,(H,11,12)
InChIKeyNTTOBMRUPOTBQA-UHFFFAOYSA-N
XLogP1.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide?
The IUPAC name of N-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide (CID 34179118) is N-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide.
What is the SMILES notation for N-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide?
The canonical SMILES for N-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide is C=C(NC(C)=O)C1=CC(=O)CCC1.
What is the InChIKey of N-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide?
The InChIKey is NTTOBMRUPOTBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(11-8(2)12)9-4-3-5-10(13)6-9/h6H,1,3-5H2,2H3,(H,11,12).
What are the key properties of N-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide?
N-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide has a molecular weight of 179.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-oxocyclohexen-1-yl)ethenyl]acetamide is sourced from PubChem (CID 34179118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).