azane;carbonic acid;2-methyloxirane

C4H14N2O4 — CID 174941118

IUPACazane;carbonic acid;2-methyloxirane
SMILESCC1CO1.N.N.O=C(O)O
InChIInChI=1S/C3H6O.CH2O3.2H3N/c1-3-2-4-3;2-1(3)4;;/h3H,2H2,1H3;(H2,2,3,4);2*1H3
InChIKeyVRMUIGUCJVEZJN-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.95
Rot. Bonds

About azane;carbonic acid;2-methyloxirane

azane;carbonic acid;2-methyloxirane (PubChem CID 174941118) has the molecular formula C4H14N2O4 and a molecular weight of 154.17 g/mol. Its IUPAC name is azane;carbonic acid;2-methyloxirane.

Molecular Properties

Compound Nameazane;carbonic acid;2-methyloxirane
PubChem CID174941118
Molecular FormulaC4H14N2O4
Molecular Weight154.17 g/mol
Exact Mass154.10
IUPAC Nameazane;carbonic acid;2-methyloxirane
SMILESCC1CO1.N.N.O=C(O)O
InChIInChI=1S/C3H6O.CH2O3.2H3N/c1-3-2-4-3;2-1(3)4;;/h3H,2H2,1H3;(H2,2,3,4);2*1H3
InChIKeyVRMUIGUCJVEZJN-UHFFFAOYSA-N
XLogP0.95
TPSA140.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;carbonic acid;2-methyloxirane?
The IUPAC name of azane;carbonic acid;2-methyloxirane (CID 174941118) is azane;carbonic acid;2-methyloxirane.
What is the SMILES notation for azane;carbonic acid;2-methyloxirane?
The canonical SMILES for azane;carbonic acid;2-methyloxirane is CC1CO1.N.N.O=C(O)O.
What is the InChIKey of azane;carbonic acid;2-methyloxirane?
The InChIKey is VRMUIGUCJVEZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.CH2O3.2H3N/c1-3-2-4-3;2-1(3)4;;/h3H,2H2,1H3;(H2,2,3,4);2*1H3.
What are the key properties of azane;carbonic acid;2-methyloxirane?
azane;carbonic acid;2-methyloxirane has a molecular weight of 154.17 g/mol, XLogP of 0.95, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbonic acid;2-methyloxirane is sourced from PubChem (CID 174941118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).