N-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide

C8H11NO3 — CID 14609653

IUPACN-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide
SMILESCC(=O)NC1=CC(O)CCC1=O
InChIInChI=1S/C8H11NO3/c1-5(10)9-7-4-6(11)2-3-8(7)12/h4,6,11H,2-3H2,1H3,(H,9,10)
InChIKeyJTIRTYDNDGLJDN-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.27
Rot. Bonds1

About N-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide

N-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide (PubChem CID 14609653) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide
PubChem CID14609653
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC NameN-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide
SMILESCC(=O)NC1=CC(O)CCC1=O
InChIInChI=1S/C8H11NO3/c1-5(10)9-7-4-6(11)2-3-8(7)12/h4,6,11H,2-3H2,1H3,(H,9,10)
InChIKeyJTIRTYDNDGLJDN-UHFFFAOYSA-N
XLogP-0.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide?
The IUPAC name of N-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide (CID 14609653) is N-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide is CC(=O)NC1=CC(O)CCC1=O.
What is the InChIKey of N-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide?
The InChIKey is JTIRTYDNDGLJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(10)9-7-4-6(11)2-3-8(7)12/h4,6,11H,2-3H2,1H3,(H,9,10).
What are the key properties of N-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide?
N-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide has a molecular weight of 169.18 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-6-oxocyclohexen-1-yl)acetamide is sourced from PubChem (CID 14609653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).