2-methanidyl-5-prop-2-enyloxolane

C8H13O- — CID 90799592

IUPAC2-methanidyl-5-prop-2-enyloxolane
SMILESC=CCC1CCC([CH2-])O1
InChIInChI=1S/C8H13O/c1-3-4-8-6-5-7(2)9-8/h3,7-8H,1-2,4-6H2/q-1
InChIKeyQZYQLFMWGKSLAM-UHFFFAOYSA-N
MW125.19 g/mol
LogP1.94
Rot. Bonds2

About 2-methanidyl-5-prop-2-enyloxolane

2-methanidyl-5-prop-2-enyloxolane (PubChem CID 90799592) has the molecular formula C8H13O- and a molecular weight of 125.19 g/mol. Its IUPAC name is 2-methanidyl-5-prop-2-enyloxolane.

Molecular Properties

Compound Name2-methanidyl-5-prop-2-enyloxolane
PubChem CID90799592
Molecular FormulaC8H13O-
Molecular Weight125.19 g/mol
Exact Mass125.10
IUPAC Name2-methanidyl-5-prop-2-enyloxolane
SMILESC=CCC1CCC([CH2-])O1
InChIInChI=1S/C8H13O/c1-3-4-8-6-5-7(2)9-8/h3,7-8H,1-2,4-6H2/q-1
InChIKeyQZYQLFMWGKSLAM-UHFFFAOYSA-N
XLogP1.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-5-prop-2-enyloxolane?
The IUPAC name of 2-methanidyl-5-prop-2-enyloxolane (CID 90799592) is 2-methanidyl-5-prop-2-enyloxolane.
What is the SMILES notation for 2-methanidyl-5-prop-2-enyloxolane?
The canonical SMILES for 2-methanidyl-5-prop-2-enyloxolane is C=CCC1CCC([CH2-])O1.
What is the InChIKey of 2-methanidyl-5-prop-2-enyloxolane?
The InChIKey is QZYQLFMWGKSLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O/c1-3-4-8-6-5-7(2)9-8/h3,7-8H,1-2,4-6H2/q-1.
What are the key properties of 2-methanidyl-5-prop-2-enyloxolane?
2-methanidyl-5-prop-2-enyloxolane has a molecular weight of 125.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-5-prop-2-enyloxolane is sourced from PubChem (CID 90799592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).