N-methyl-1,3-dioxol-4-amine

C4H7NO2 — CID 69373795

IUPACN-methyl-1,3-dioxol-4-amine
SMILESCNC1=COCO1
InChIInChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2,5H,3H2,1H3
InChIKeyQAKWAAYGVLDFMG-UHFFFAOYSA-N
MW101.10 g/mol
LogP0.01
Rot. Bonds1

About N-methyl-1,3-dioxol-4-amine

N-methyl-1,3-dioxol-4-amine (PubChem CID 69373795) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is N-methyl-1,3-dioxol-4-amine.

Molecular Properties

Compound NameN-methyl-1,3-dioxol-4-amine
PubChem CID69373795
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC NameN-methyl-1,3-dioxol-4-amine
SMILESCNC1=COCO1
InChIInChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2,5H,3H2,1H3
InChIKeyQAKWAAYGVLDFMG-UHFFFAOYSA-N
XLogP0.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-dioxol-4-amine?
The IUPAC name of N-methyl-1,3-dioxol-4-amine (CID 69373795) is N-methyl-1,3-dioxol-4-amine.
What is the SMILES notation for N-methyl-1,3-dioxol-4-amine?
The canonical SMILES for N-methyl-1,3-dioxol-4-amine is CNC1=COCO1.
What is the InChIKey of N-methyl-1,3-dioxol-4-amine?
The InChIKey is QAKWAAYGVLDFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2,5H,3H2,1H3.
What are the key properties of N-methyl-1,3-dioxol-4-amine?
N-methyl-1,3-dioxol-4-amine has a molecular weight of 101.10 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-dioxol-4-amine is sourced from PubChem (CID 69373795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).