1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one

C13H23NO2 — CID 107010926

IUPAC1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1CCC(CN)O1
InChIInChI=1S/C13H23NO2/c1-2-3-4-5-6-7-12(15)13-9-8-11(10-14)16-13/h2,11,13H,1,3-10,14H2
InChIKeyRGUKYTKKZOJKFY-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds8

About 1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one

1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one (PubChem CID 107010926) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one.

Molecular Properties

Compound Name1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one
PubChem CID107010926
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1CCC(CN)O1
InChIInChI=1S/C13H23NO2/c1-2-3-4-5-6-7-12(15)13-9-8-11(10-14)16-13/h2,11,13H,1,3-10,14H2
InChIKeyRGUKYTKKZOJKFY-UHFFFAOYSA-N
XLogP2.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one?
The IUPAC name of 1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one (CID 107010926) is 1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one.
What is the SMILES notation for 1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one?
The canonical SMILES for 1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one is C=CCCCCCC(=O)C1CCC(CN)O1.
What is the InChIKey of 1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one?
The InChIKey is RGUKYTKKZOJKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-3-4-5-6-7-12(15)13-9-8-11(10-14)16-13/h2,11,13H,1,3-10,14H2.
What are the key properties of 1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one?
1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)oxolan-2-yl]oct-7-en-1-one is sourced from PubChem (CID 107010926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).