N-[(4-oxocyclohexyl)methyl]acetamide

C9H15NO2 — CID 11412613

IUPACN-[(4-oxocyclohexyl)methyl]acetamide
SMILESCC(=O)NCC1CCC(=O)CC1
InChIInChI=1S/C9H15NO2/c1-7(11)10-6-8-2-4-9(12)5-3-8/h8H,2-6H2,1H3,(H,10,11)
InChIKeyQAXXVSNCADPNGT-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.88
Rot. Bonds2

About N-[(4-oxocyclohexyl)methyl]acetamide

N-[(4-oxocyclohexyl)methyl]acetamide (PubChem CID 11412613) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-[(4-oxocyclohexyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-oxocyclohexyl)methyl]acetamide
PubChem CID11412613
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-[(4-oxocyclohexyl)methyl]acetamide
SMILESCC(=O)NCC1CCC(=O)CC1
InChIInChI=1S/C9H15NO2/c1-7(11)10-6-8-2-4-9(12)5-3-8/h8H,2-6H2,1H3,(H,10,11)
InChIKeyQAXXVSNCADPNGT-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
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-[(4-oxocyclohexyl)methyl]acetamide?
The IUPAC name of N-[(4-oxocyclohexyl)methyl]acetamide (CID 11412613) is N-[(4-oxocyclohexyl)methyl]acetamide.
What is the SMILES notation for N-[(4-oxocyclohexyl)methyl]acetamide?
The canonical SMILES for N-[(4-oxocyclohexyl)methyl]acetamide is CC(=O)NCC1CCC(=O)CC1.
What is the InChIKey of N-[(4-oxocyclohexyl)methyl]acetamide?
The InChIKey is QAXXVSNCADPNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(11)10-6-8-2-4-9(12)5-3-8/h8H,2-6H2,1H3,(H,10,11).
What are the key properties of N-[(4-oxocyclohexyl)methyl]acetamide?
N-[(4-oxocyclohexyl)methyl]acetamide has a molecular weight of 169.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxocyclohexyl)methyl]acetamide is sourced from PubChem (CID 11412613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).