8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane

C12H21NO — CID 131971586

IUPAC8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESC=C(CC(C)C)N1C2CCC1COC2
InChIInChI=1S/C12H21NO/c1-9(2)6-10(3)13-11-4-5-12(13)8-14-7-11/h9,11-12H,3-8H2,1-2H3
InChIKeyBBWZFAPDGRJCJY-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.41
Rot. Bonds3

About 8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane

8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 131971586) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID131971586
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESC=C(CC(C)C)N1C2CCC1COC2
InChIInChI=1S/C12H21NO/c1-9(2)6-10(3)13-11-4-5-12(13)8-14-7-11/h9,11-12H,3-8H2,1-2H3
InChIKeyBBWZFAPDGRJCJY-UHFFFAOYSA-N
XLogP2.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane (CID 131971586) is 8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane is C=C(CC(C)C)N1C2CCC1COC2.
What is the InChIKey of 8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is BBWZFAPDGRJCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)6-10(3)13-11-4-5-12(13)8-14-7-11/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 195.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpent-1-en-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 131971586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).