4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one

C8H13NO3 — CID 163424352

IUPAC4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one
SMILESCNc1oc(=O)oc1CC(C)C
InChIInChI=1S/C8H13NO3/c1-5(2)4-6-7(9-3)12-8(10)11-6/h5,9H,4H2,1-3H3
InChIKeyALEKYDNHYXOZOD-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.47
Rot. Bonds3

About 4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one

4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one (PubChem CID 163424352) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one
PubChem CID163424352
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one
SMILESCNc1oc(=O)oc1CC(C)C
InChIInChI=1S/C8H13NO3/c1-5(2)4-6-7(9-3)12-8(10)11-6/h5,9H,4H2,1-3H3
InChIKeyALEKYDNHYXOZOD-UHFFFAOYSA-N
XLogP1.47
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one (CID 163424352) is 4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one is CNc1oc(=O)oc1CC(C)C.
What is the InChIKey of 4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one?
The InChIKey is ALEKYDNHYXOZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(2)4-6-7(9-3)12-8(10)11-6/h5,9H,4H2,1-3H3.
What are the key properties of 4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one?
4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one has a molecular weight of 171.20 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-5-(2-methylpropyl)-1,3-dioxol-2-one is sourced from PubChem (CID 163424352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).