4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one

C7H11NO3 — CID 91355850

IUPAC4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1CN(C)C
InChIInChI=1S/C7H11NO3/c1-5-6(4-8(2)3)11-7(9)10-5/h4H2,1-3H3
InChIKeySPPJPCUQOQECJV-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.60
Rot. Bonds2

About 4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one

4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one (PubChem CID 91355850) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one
PubChem CID91355850
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1CN(C)C
InChIInChI=1S/C7H11NO3/c1-5-6(4-8(2)3)11-7(9)10-5/h4H2,1-3H3
InChIKeySPPJPCUQOQECJV-UHFFFAOYSA-N
XLogP0.60
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-5-(methylaminomethyl)-1,3-dioxol-2-one
CID 57574029
CID 58352700
CID 58352700
4-[[Ethyl(methyl)amino]methyl]-5-methyl-1,3-dioxol-2-one
CID 68264793
Methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-di(propan-2-yl)azanium
CID 117670558
Trimethyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]azanium
CID 117670707
4-[[Chloro(methyl)amino]methyl]-5-methyl-1,3-dioxol-2-one
CID 151552472
4-[[[(Z)-but-2-enyl]-methylamino]methyl]-5-methyl-1,3-dioxol-2-one
CID 159796426
Ethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one
CID 165072128
Methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid
CID 175941189

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one?
The IUPAC name of 4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one (CID 91355850) is 4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one.
What is the SMILES notation for 4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one?
The canonical SMILES for 4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one is Cc1oc(=O)oc1CN(C)C.
What is the InChIKey of 4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one?
The InChIKey is SPPJPCUQOQECJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5-6(4-8(2)3)11-7(9)10-5/h4H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one?
4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one has a molecular weight of 157.17 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one is sourced from PubChem (CID 91355850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).