N-(5-oxohexan-2-yl)acetamide

C8H15NO2 — CID 21343386

IUPACN-(5-oxohexan-2-yl)acetamide
SMILESCC(=O)CCC(C)NC(C)=O
InChIInChI=1S/C8H15NO2/c1-6(9-8(3)11)4-5-7(2)10/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeyJOXCJSAUKBOSOA-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.88
Rot. Bonds4

About N-(5-oxohexan-2-yl)acetamide

N-(5-oxohexan-2-yl)acetamide (PubChem CID 21343386) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(5-oxohexan-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-oxohexan-2-yl)acetamide
PubChem CID21343386
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(5-oxohexan-2-yl)acetamide
SMILESCC(=O)CCC(C)NC(C)=O
InChIInChI=1S/C8H15NO2/c1-6(9-8(3)11)4-5-7(2)10/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeyJOXCJSAUKBOSOA-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxohexan-2-yl)acetamide?
The IUPAC name of N-(5-oxohexan-2-yl)acetamide (CID 21343386) is N-(5-oxohexan-2-yl)acetamide.
What is the SMILES notation for N-(5-oxohexan-2-yl)acetamide?
The canonical SMILES for N-(5-oxohexan-2-yl)acetamide is CC(=O)CCC(C)NC(C)=O.
What is the InChIKey of N-(5-oxohexan-2-yl)acetamide?
The InChIKey is JOXCJSAUKBOSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(9-8(3)11)4-5-7(2)10/h6H,4-5H2,1-3H3,(H,9,11).
What are the key properties of N-(5-oxohexan-2-yl)acetamide?
N-(5-oxohexan-2-yl)acetamide has a molecular weight of 157.21 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxohexan-2-yl)acetamide is sourced from PubChem (CID 21343386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).