2-ethenyloxan-3-amine

C7H13NO — CID 122236367

IUPAC2-ethenyloxan-3-amine
SMILESC=CC1OCCCC1N
InChIInChI=1S/C7H13NO/c1-2-7-6(8)4-3-5-9-7/h2,6-7H,1,3-5,8H2
InChIKeyPNTQMYFDQAIZFP-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.68
Rot. Bonds1

About 2-ethenyloxan-3-amine

2-ethenyloxan-3-amine (PubChem CID 122236367) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-ethenyloxan-3-amine.

Molecular Properties

Compound Name2-ethenyloxan-3-amine
PubChem CID122236367
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-ethenyloxan-3-amine
SMILESC=CC1OCCCC1N
InChIInChI=1S/C7H13NO/c1-2-7-6(8)4-3-5-9-7/h2,6-7H,1,3-5,8H2
InChIKeyPNTQMYFDQAIZFP-UHFFFAOYSA-N
XLogP0.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 2-ethenyloxan-3-amine?
The IUPAC name of 2-ethenyloxan-3-amine (CID 122236367) is 2-ethenyloxan-3-amine.
What is the SMILES notation for 2-ethenyloxan-3-amine?
The canonical SMILES for 2-ethenyloxan-3-amine is C=CC1OCCCC1N.
What is the InChIKey of 2-ethenyloxan-3-amine?
The InChIKey is PNTQMYFDQAIZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-7-6(8)4-3-5-9-7/h2,6-7H,1,3-5,8H2.
What are the key properties of 2-ethenyloxan-3-amine?
2-ethenyloxan-3-amine has a molecular weight of 127.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyloxan-3-amine is sourced from PubChem (CID 122236367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).