ethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene

C10H17NO — CID 166553325

IUPACethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene
SMILESCC.CC1=CC2(COC2)NC=C1
InChIInChI=1S/C8H11NO.C2H6/c1-7-2-3-9-8(4-7)5-10-6-8;1-2/h2-4,9H,5-6H2,1H3;1-2H3
InChIKeySEBZDMLMPWTRMH-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.84
Rot. Bonds

About ethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene

ethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene (PubChem CID 166553325) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is ethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene.

Molecular Properties

Compound Nameethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene
PubChem CID166553325
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nameethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene
SMILESCC.CC1=CC2(COC2)NC=C1
InChIInChI=1S/C8H11NO.C2H6/c1-7-2-3-9-8(4-7)5-10-6-8;1-2/h2-4,9H,5-6H2,1H3;1-2H3
InChIKeySEBZDMLMPWTRMH-UHFFFAOYSA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene?
The IUPAC name of ethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene (CID 166553325) is ethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene.
What is the SMILES notation for ethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene?
The canonical SMILES for ethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene is CC.CC1=CC2(COC2)NC=C1.
What is the InChIKey of ethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene?
The InChIKey is SEBZDMLMPWTRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C2H6/c1-7-2-3-9-8(4-7)5-10-6-8;1-2/h2-4,9H,5-6H2,1H3;1-2H3.
What are the key properties of ethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene?
ethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene has a molecular weight of 167.25 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-2-oxa-5-azaspiro[3.5]nona-6,8-diene is sourced from PubChem (CID 166553325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).