6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane

C10H17NO — CID 123370583

IUPAC6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane
SMILESCC=CC(C)N1C2COCC1C2
InChIInChI=1S/C10H17NO/c1-3-4-8(2)11-9-5-10(11)7-12-6-9/h3-4,8-10H,5-7H2,1-2H3
InChIKeyBNQIAWXFXQISCP-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.42
Rot. Bonds2

About 6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane

6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane (PubChem CID 123370583) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane
PubChem CID123370583
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane
SMILESCC=CC(C)N1C2COCC1C2
InChIInChI=1S/C10H17NO/c1-3-4-8(2)11-9-5-10(11)7-12-6-9/h3-4,8-10H,5-7H2,1-2H3
InChIKeyBNQIAWXFXQISCP-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane (CID 123370583) is 6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane is CC=CC(C)N1C2COCC1C2.
What is the InChIKey of 6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane?
The InChIKey is BNQIAWXFXQISCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-8(2)11-9-5-10(11)7-12-6-9/h3-4,8-10H,5-7H2,1-2H3.
What are the key properties of 6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane?
6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane has a molecular weight of 167.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pent-3-en-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 123370583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).