1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone

C11H21NO — CID 121222825

IUPAC1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone
SMILESCC(=O)C1CCC(C)C1CN(C)C
InChIInChI=1S/C11H21NO/c1-8-5-6-10(9(2)13)11(8)7-12(3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyHWKZHLTYLBFSSV-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds3

About 1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone

1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone (PubChem CID 121222825) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone
PubChem CID121222825
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone
SMILESCC(=O)C1CCC(C)C1CN(C)C
InChIInChI=1S/C11H21NO/c1-8-5-6-10(9(2)13)11(8)7-12(3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyHWKZHLTYLBFSSV-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone (CID 121222825) is 1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone is CC(=O)C1CCC(C)C1CN(C)C.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone?
The InChIKey is HWKZHLTYLBFSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-5-6-10(9(2)13)11(8)7-12(3)4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone?
1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone has a molecular weight of 183.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone is sourced from PubChem (CID 121222825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).