3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane

C9H15NO — CID 118148019

IUPAC3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC=C1OC2CC1N(C(C)C)C2
InChIInChI=1S/C9H15NO/c1-6(2)10-5-8-4-9(10)7(3)11-8/h6,8-9H,3-5H2,1-2H3
InChIKeyYVFYOTYMBONRGB-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.38
Rot. Bonds1

About 3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane

3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 118148019) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID118148019
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC=C1OC2CC1N(C(C)C)C2
InChIInChI=1S/C9H15NO/c1-6(2)10-5-8-4-9(10)7(3)11-8/h6,8-9H,3-5H2,1-2H3
InChIKeyYVFYOTYMBONRGB-UHFFFAOYSA-N
XLogP1.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 118148019) is 3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane is C=C1OC2CC1N(C(C)C)C2.
What is the InChIKey of 3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is YVFYOTYMBONRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)10-5-8-4-9(10)7(3)11-8/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 153.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 118148019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).