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

C7H11NO — CID 143347187

IUPACethane;2-methyl-1-oxa-3-azacyclohexa-2,4,5-triene
SMILESCC.CC1=NC=C=CO1
InChIInChI=1S/C5H5NO.C2H6/c1-5-6-3-2-4-7-5;1-2/h3-4H,1H3;1-2H3
InChIKeyYOWUSIZPDFLGLJ-UHFFFAOYSA-N
MW125.17 g/mol
LogP2.09
Rot. Bonds

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

ethane;2-methyl-1-oxa-3-azacyclohexa-2,4,5-triene (PubChem CID 143347187) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is ethane;2-methyl-1-oxa-3-azacyclohexa-2,4,5-triene.

Molecular Properties

Compound Nameethane;2-methyl-1-oxa-3-azacyclohexa-2,4,5-triene
PubChem CID143347187
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Nameethane;2-methyl-1-oxa-3-azacyclohexa-2,4,5-triene
SMILESCC.CC1=NC=C=CO1
InChIInChI=1S/C5H5NO.C2H6/c1-5-6-3-2-4-7-5;1-2/h3-4H,1H3;1-2H3
InChIKeyYOWUSIZPDFLGLJ-UHFFFAOYSA-N
XLogP2.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-oxa-3-azacyclohexa-2,4,5-triene?
The IUPAC name of ethane;2-methyl-1-oxa-3-azacyclohexa-2,4,5-triene (CID 143347187) is ethane;2-methyl-1-oxa-3-azacyclohexa-2,4,5-triene.
What is the SMILES notation for ethane;2-methyl-1-oxa-3-azacyclohexa-2,4,5-triene?
The canonical SMILES for ethane;2-methyl-1-oxa-3-azacyclohexa-2,4,5-triene is CC.CC1=NC=C=CO1.
What is the InChIKey of ethane;2-methyl-1-oxa-3-azacyclohexa-2,4,5-triene?
The InChIKey is YOWUSIZPDFLGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.C2H6/c1-5-6-3-2-4-7-5;1-2/h3-4H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1-oxa-3-azacyclohexa-2,4,5-triene?
ethane;2-methyl-1-oxa-3-azacyclohexa-2,4,5-triene has a molecular weight of 125.17 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-oxa-3-azacyclohexa-2,4,5-triene is sourced from PubChem (CID 143347187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).