ethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one

C8H15NO3 — CID 165072128

IUPACethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one
SMILESCC.CNCc1oc(=O)oc1C
InChIInChI=1S/C6H9NO3.C2H6/c1-4-5(3-7-2)10-6(8)9-4;1-2/h7H,3H2,1-2H3;1-2H3
InChIKeySYCYAFUXNYLMSS-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.29
Rot. Bonds2

About ethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one

ethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one (PubChem CID 165072128) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Nameethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one
PubChem CID165072128
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one
SMILESCC.CNCc1oc(=O)oc1C
InChIInChI=1S/C6H9NO3.C2H6/c1-4-5(3-7-2)10-6(8)9-4;1-2/h7H,3H2,1-2H3;1-2H3
InChIKeySYCYAFUXNYLMSS-UHFFFAOYSA-N
XLogP1.29
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one?
The IUPAC name of ethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one (CID 165072128) is ethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one.
What is the SMILES notation for ethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one?
The canonical SMILES for ethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one is CC.CNCc1oc(=O)oc1C.
What is the InChIKey of ethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one?
The InChIKey is SYCYAFUXNYLMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3.C2H6/c1-4-5(3-7-2)10-6(8)9-4;1-2/h7H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one?
ethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one has a molecular weight of 173.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-5-(methylaminomethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 165072128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).