N-(3-oxocyclohexen-1-yl)acetamide

C8H11NO2 — CID 2751403

IUPACN-(3-oxocyclohexen-1-yl)acetamide
SMILESCC(=O)NC1=CC(=O)CCC1
InChIInChI=1S/C8H11NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h5H,2-4H2,1H3,(H,9,10)
InChIKeyDFXMZJIZWYNSBP-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.76
Rot. Bonds1

About N-(3-oxocyclohexen-1-yl)acetamide

N-(3-oxocyclohexen-1-yl)acetamide (PubChem CID 2751403) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N-(3-oxocyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-oxocyclohexen-1-yl)acetamide
PubChem CID2751403
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN-(3-oxocyclohexen-1-yl)acetamide
SMILESCC(=O)NC1=CC(=O)CCC1
InChIInChI=1S/C8H11NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h5H,2-4H2,1H3,(H,9,10)
InChIKeyDFXMZJIZWYNSBP-UHFFFAOYSA-N
XLogP0.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxocyclohexen-1-yl)acetamide?
The IUPAC name of N-(3-oxocyclohexen-1-yl)acetamide (CID 2751403) is N-(3-oxocyclohexen-1-yl)acetamide.
What is the SMILES notation for N-(3-oxocyclohexen-1-yl)acetamide?
The canonical SMILES for N-(3-oxocyclohexen-1-yl)acetamide is CC(=O)NC1=CC(=O)CCC1.
What is the InChIKey of N-(3-oxocyclohexen-1-yl)acetamide?
The InChIKey is DFXMZJIZWYNSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of N-(3-oxocyclohexen-1-yl)acetamide?
N-(3-oxocyclohexen-1-yl)acetamide has a molecular weight of 153.18 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxocyclohexen-1-yl)acetamide is sourced from PubChem (CID 2751403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).