3-prop-2-enyloxolan-3-amine

C7H13NO — CID 130135775

IUPAC3-prop-2-enyloxolan-3-amine
SMILESC=CCC1(N)CCOC1
InChIInChI=1S/C7H13NO/c1-2-3-7(8)4-5-9-6-7/h2H,1,3-6,8H2
InChIKeyULRMGGPFMZJRNM-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.68
Rot. Bonds2

About 3-prop-2-enyloxolan-3-amine

3-prop-2-enyloxolan-3-amine (PubChem CID 130135775) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-prop-2-enyloxolan-3-amine.

Molecular Properties

Compound Name3-prop-2-enyloxolan-3-amine
PubChem CID130135775
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-prop-2-enyloxolan-3-amine
SMILESC=CCC1(N)CCOC1
InChIInChI=1S/C7H13NO/c1-2-3-7(8)4-5-9-6-7/h2H,1,3-6,8H2
InChIKeyULRMGGPFMZJRNM-UHFFFAOYSA-N
XLogP0.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
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 3-prop-2-enyloxolan-3-amine?
The IUPAC name of 3-prop-2-enyloxolan-3-amine (CID 130135775) is 3-prop-2-enyloxolan-3-amine.
What is the SMILES notation for 3-prop-2-enyloxolan-3-amine?
The canonical SMILES for 3-prop-2-enyloxolan-3-amine is C=CCC1(N)CCOC1.
What is the InChIKey of 3-prop-2-enyloxolan-3-amine?
The InChIKey is ULRMGGPFMZJRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-7(8)4-5-9-6-7/h2H,1,3-6,8H2.
What are the key properties of 3-prop-2-enyloxolan-3-amine?
3-prop-2-enyloxolan-3-amine has a molecular weight of 127.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyloxolan-3-amine is sourced from PubChem (CID 130135775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).