3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane

C10H17NO — CID 130318502

IUPAC3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC=C1OC2CC1N(CC(C)C)C2
InChIInChI=1S/C10H17NO/c1-7(2)5-11-6-9-4-10(11)8(3)12-9/h7,9-10H,3-6H2,1-2H3
InChIKeyDWNGDMXPFPMJOR-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.63
Rot. Bonds2

About 3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane

3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 130318502) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID130318502
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC=C1OC2CC1N(CC(C)C)C2
InChIInChI=1S/C10H17NO/c1-7(2)5-11-6-9-4-10(11)8(3)12-9/h7,9-10H,3-6H2,1-2H3
InChIKeyDWNGDMXPFPMJOR-UHFFFAOYSA-N
XLogP1.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 130318502) is 3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane is C=C1OC2CC1N(CC(C)C)C2.
What is the InChIKey of 3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is DWNGDMXPFPMJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)5-11-6-9-4-10(11)8(3)12-9/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 167.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-(2-methylpropyl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 130318502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).