ethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene

C7H13NO — CID 143333876

IUPACethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene
SMILESC.C1=CN=COC=1.CC
InChIInChI=1S/C4H3NO.C2H6.CH4/c1-2-5-4-6-3-1;1-2;/h2-4H;1-2H3;1H4
InChIKeyHYBGOBMWTDWHBY-UHFFFAOYSA-N
MW127.19 g/mol
LogP2.33
Rot. Bonds

About ethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene

ethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene (PubChem CID 143333876) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is ethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene.

Molecular Properties

Compound Nameethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene
PubChem CID143333876
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Nameethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene
SMILESC.C1=CN=COC=1.CC
InChIInChI=1S/C4H3NO.C2H6.CH4/c1-2-5-4-6-3-1;1-2;/h2-4H;1-2H3;1H4
InChIKeyHYBGOBMWTDWHBY-UHFFFAOYSA-N
XLogP2.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene?
The IUPAC name of ethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene (CID 143333876) is ethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene.
What is the SMILES notation for ethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene?
The canonical SMILES for ethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene is C.C1=CN=COC=1.CC.
What is the InChIKey of ethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene?
The InChIKey is HYBGOBMWTDWHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO.C2H6.CH4/c1-2-5-4-6-3-1;1-2;/h2-4H;1-2H3;1H4.
What are the key properties of ethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene?
ethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene has a molecular weight of 127.19 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene is sourced from PubChem (CID 143333876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).