5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one

C9H17NO2 — CID 15620896

IUPAC5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one
SMILESCC1CC(=O)OC1(C)CN(C)C
InChIInChI=1S/C9H17NO2/c1-7-5-8(11)12-9(7,2)6-10(3)4/h7H,5-6H2,1-4H3
InChIKeyARFFRUTZIVDKDK-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds2

About 5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one

5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one (PubChem CID 15620896) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one
PubChem CID15620896
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one
SMILESCC1CC(=O)OC1(C)CN(C)C
InChIInChI=1S/C9H17NO2/c1-7-5-8(11)12-9(7,2)6-10(3)4/h7H,5-6H2,1-4H3
InChIKeyARFFRUTZIVDKDK-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one?
The IUPAC name of 5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one (CID 15620896) is 5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one.
What is the SMILES notation for 5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one?
The canonical SMILES for 5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one is CC1CC(=O)OC1(C)CN(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one?
The InChIKey is ARFFRUTZIVDKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-5-8(11)12-9(7,2)6-10(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one?
5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-4,5-dimethyloxolan-2-one is sourced from PubChem (CID 15620896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).