2-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine

C9H15NO2 — CID 174882974

IUPAC2-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine
SMILESNC1CCC=C1C1COCCO1
InChIInChI=1S/C9H15NO2/c10-8-3-1-2-7(8)9-6-11-4-5-12-9/h2,8-9H,1,3-6,10H2
InChIKeyJSJGWYNTSVTANP-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.45
Rot. Bonds1

About 2-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine

2-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine (PubChem CID 174882974) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine
PubChem CID174882974
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine
SMILESNC1CCC=C1C1COCCO1
InChIInChI=1S/C9H15NO2/c10-8-3-1-2-7(8)9-6-11-4-5-12-9/h2,8-9H,1,3-6,10H2
InChIKeyJSJGWYNTSVTANP-UHFFFAOYSA-N
XLogP0.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine?
The IUPAC name of 2-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine (CID 174882974) is 2-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 2-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine is NC1CCC=C1C1COCCO1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine?
The InChIKey is JSJGWYNTSVTANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c10-8-3-1-2-7(8)9-6-11-4-5-12-9/h2,8-9H,1,3-6,10H2.
What are the key properties of 2-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine?
2-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine has a molecular weight of 169.22 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 174882974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).