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

C6H9NO — CID 142049478

IUPACethane;1-oxa-3-azacyclohexa-2,4,5-triene
SMILESC1=CN=COC=1.CC
InChIInChI=1S/C4H3NO.C2H6/c1-2-5-4-6-3-1;1-2/h2-4H;1-2H3
InChIKeyNDCSAMHMSLWRTI-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.70
Rot. Bonds

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

ethane;1-oxa-3-azacyclohexa-2,4,5-triene (PubChem CID 142049478) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is ethane;1-oxa-3-azacyclohexa-2,4,5-triene.

Molecular Properties

Compound Nameethane;1-oxa-3-azacyclohexa-2,4,5-triene
PubChem CID142049478
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Nameethane;1-oxa-3-azacyclohexa-2,4,5-triene
SMILESC1=CN=COC=1.CC
InChIInChI=1S/C4H3NO.C2H6/c1-2-5-4-6-3-1;1-2/h2-4H;1-2H3
InChIKeyNDCSAMHMSLWRTI-UHFFFAOYSA-N
XLogP1.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Oxa-3-azacyclohexa-2,4,5-triene
CID 91048363
Ethane;methane;1-oxa-3-azacyclohexa-2,4,5-triene
CID 143333876
Ethane;2-methyl-1-oxa-3-azacyclohexa-2,4,5-triene
CID 143347187
N-[(E)-2-ethoxyprop-1-enyl]methanimine
CID 143586253
N-[(Z)-2-methoxyprop-1-enyl]methanimine
CID 145443432
2-Methyl-1-oxa-4-azacyclohexa-2,4,5-triene
CID 154530732
N-[(E)-2-methoxyprop-1-enyl]methanimine
CID 156741271
ethenyl N-(2-methylprop-1-enyl)methanimidate
CID 163813322
2-Methyl-1-oxa-3-azacyclohexa-2,4,5-triene
CID 143347188

Frequently Asked Questions

What is the IUPAC name of ethane;1-oxa-3-azacyclohexa-2,4,5-triene?
The IUPAC name of ethane;1-oxa-3-azacyclohexa-2,4,5-triene (CID 142049478) is ethane;1-oxa-3-azacyclohexa-2,4,5-triene.
What is the SMILES notation for ethane;1-oxa-3-azacyclohexa-2,4,5-triene?
The canonical SMILES for ethane;1-oxa-3-azacyclohexa-2,4,5-triene is C1=CN=COC=1.CC.
What is the InChIKey of ethane;1-oxa-3-azacyclohexa-2,4,5-triene?
The InChIKey is NDCSAMHMSLWRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO.C2H6/c1-2-5-4-6-3-1;1-2/h2-4H;1-2H3.
What are the key properties of ethane;1-oxa-3-azacyclohexa-2,4,5-triene?
ethane;1-oxa-3-azacyclohexa-2,4,5-triene has a molecular weight of 111.14 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-oxa-3-azacyclohexa-2,4,5-triene is sourced from PubChem (CID 142049478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).