N-[(1-methyl-3-oxocyclohexyl)methyl]acetamide

C10H17NO2 — CID 10631319

IUPACN-[(1-methyl-3-oxocyclohexyl)methyl]acetamide
SMILESCC(=O)NCC1(C)CCCC(=O)C1
InChIInChI=1S/C10H17NO2/c1-8(12)11-7-10(2)5-3-4-9(13)6-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyHFMFNPYFMYLFIF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.27
Rot. Bonds2

About N-[(1-methyl-3-oxocyclohexyl)methyl]acetamide

N-[(1-methyl-3-oxocyclohexyl)methyl]acetamide (PubChem CID 10631319) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(1-methyl-3-oxocyclohexyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-methyl-3-oxocyclohexyl)methyl]acetamide
PubChem CID10631319
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[(1-methyl-3-oxocyclohexyl)methyl]acetamide
SMILESCC(=O)NCC1(C)CCCC(=O)C1
InChIInChI=1S/C10H17NO2/c1-8(12)11-7-10(2)5-3-4-9(13)6-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyHFMFNPYFMYLFIF-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-oxocyclohexyl)methyl]acetamide?
The IUPAC name of N-[(1-methyl-3-oxocyclohexyl)methyl]acetamide (CID 10631319) is N-[(1-methyl-3-oxocyclohexyl)methyl]acetamide.
What is the SMILES notation for N-[(1-methyl-3-oxocyclohexyl)methyl]acetamide?
The canonical SMILES for N-[(1-methyl-3-oxocyclohexyl)methyl]acetamide is CC(=O)NCC1(C)CCCC(=O)C1.
What is the InChIKey of N-[(1-methyl-3-oxocyclohexyl)methyl]acetamide?
The InChIKey is HFMFNPYFMYLFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(12)11-7-10(2)5-3-4-9(13)6-10/h3-7H2,1-2H3,(H,11,12).
What are the key properties of N-[(1-methyl-3-oxocyclohexyl)methyl]acetamide?
N-[(1-methyl-3-oxocyclohexyl)methyl]acetamide has a molecular weight of 183.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-oxocyclohexyl)methyl]acetamide is sourced from PubChem (CID 10631319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).