(1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane

C9H15NO — CID 118148052

IUPAC(1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC=C1O[C@H]2C[C@@H]1N(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/t8-,9-/m0/s1
InChIKeyYVFYOTYMBONRGB-IUCAKERBSA-N
MW153.22 g/mol
LogP1.38
Rot. Bonds1

About (1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane

(1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 118148052) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID118148052
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC=C1O[C@H]2C[C@@H]1N(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/t8-,9-/m0/s1
InChIKeyYVFYOTYMBONRGB-IUCAKERBSA-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 (1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 118148052) is (1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane is C=C1O[C@H]2C[C@@H]1N(C(C)C)C2.
What is the InChIKey of (1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is YVFYOTYMBONRGB-IUCAKERBSA-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/t8-,9-/m0/s1.
What are the key properties of (1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
(1S,4S)-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 (1S,4S)-3-methylidene-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 118148052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).