1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane

C8H12O — CID 57429844

IUPAC1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane
SMILESC/C=C\C12CC1CCO2
InChIInChI=1S/C8H12O/c1-2-4-8-6-7(8)3-5-9-8/h2,4,7H,3,5-6H2,1H3/b4-2-
InChIKeyLBSCGTCWHPOSJE-RQOWECAXSA-N
MW124.18 g/mol
LogP1.74
Rot. Bonds1

About 1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane

1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane (PubChem CID 57429844) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane
PubChem CID57429844
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane
SMILESC/C=C\C12CC1CCO2
InChIInChI=1S/C8H12O/c1-2-4-8-6-7(8)3-5-9-8/h2,4,7H,3,5-6H2,1H3/b4-2-
InChIKeyLBSCGTCWHPOSJE-RQOWECAXSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-prop-1-enylbicyclo[1.1.0]butane
CID 91031685
2-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane
CID 10855469
1-(2,2-dimethyloxan-4-yl)cyclopropan-1-amine
CID 83905727
2-oxabicyclo[3.1.0]hexane-1-carboxylic acid
CID 21401806
(2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol
CID 11117066
(3aR,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 124636274
(3aR,7aR)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 11469119
2-methyl-1-(oxan-4-yl)cyclopropan-1-amine
CID 79333961
2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine
CID 919149
9,9-dioxo-3-[(Z)-prop-1-enyl]-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171953211
2-cyclobutyl-2-methyloxan-4-amine
CID 126985978
3-(2,2-dimethyloxan-4-yl)prop-2-enamide
CID 3751696

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane?
The IUPAC name of 1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane (CID 57429844) is 1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane is C/C=C\C12CC1CCO2.
What is the InChIKey of 1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane?
The InChIKey is LBSCGTCWHPOSJE-RQOWECAXSA-N. The full InChI is InChI=1S/C8H12O/c1-2-4-8-6-7(8)3-5-9-8/h2,4,7H,3,5-6H2,1H3/b4-2-.
What are the key properties of 1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane?
1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane has a molecular weight of 124.18 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-prop-1-enyl]-2-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 57429844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).