5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane

C9H15NO — CID 126995064

IUPAC5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESC=CCCN1CCOC2CC21
InChIInChI=1S/C9H15NO/c1-2-3-4-10-5-6-11-9-7-8(9)10/h2,8-9H,1,3-7H2
InChIKeyYTMOZWHEWHIEGW-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.04
Rot. Bonds3

About 5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane

5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane (PubChem CID 126995064) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane
PubChem CID126995064
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESC=CCCN1CCOC2CC21
InChIInChI=1S/C9H15NO/c1-2-3-4-10-5-6-11-9-7-8(9)10/h2,8-9H,1,3-7H2
InChIKeyYTMOZWHEWHIEGW-UHFFFAOYSA-N
XLogP1.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Methylprop-2-enyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 131065856
5-Prop-2-enyl-2-oxa-5-azabicyclo[4.1.0]heptane
CID 131084549
5-[(E)-3-chloroprop-2-enyl]-2-oxa-5-azabicyclo[4.1.0]heptane
CID 131240660

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane?
The IUPAC name of 5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane (CID 126995064) is 5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane?
The canonical SMILES for 5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane is C=CCCN1CCOC2CC21.
What is the InChIKey of 5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane?
The InChIKey is YTMOZWHEWHIEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-4-10-5-6-11-9-7-8(9)10/h2,8-9H,1,3-7H2.
What are the key properties of 5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane?
5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane has a molecular weight of 153.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 126995064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).