(4-aminocyclopent-2-en-1-yl) acetate

C7H11NO2 — CID 54113233

IUPAC(4-aminocyclopent-2-en-1-yl) acetate
SMILESCC(=O)OC1C=CC(N)C1
InChIInChI=1S/C7H11NO2/c1-5(9)10-7-3-2-6(8)4-7/h2-3,6-7H,4,8H2,1H3
InChIKeyNIOCWXLTSTWONK-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.21
Rot. Bonds1

About (4-aminocyclopent-2-en-1-yl) acetate

(4-aminocyclopent-2-en-1-yl) acetate (PubChem CID 54113233) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl) acetate.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl) acetate
PubChem CID54113233
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(4-aminocyclopent-2-en-1-yl) acetate
SMILESCC(=O)OC1C=CC(N)C1
InChIInChI=1S/C7H11NO2/c1-5(9)10-7-3-2-6(8)4-7/h2-3,6-7H,4,8H2,1H3
InChIKeyNIOCWXLTSTWONK-UHFFFAOYSA-N
XLogP0.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.21
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 (4-aminocyclopent-2-en-1-yl) acetate?
The IUPAC name of (4-aminocyclopent-2-en-1-yl) acetate (CID 54113233) is (4-aminocyclopent-2-en-1-yl) acetate.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl) acetate?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl) acetate is CC(=O)OC1C=CC(N)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl) acetate?
The InChIKey is NIOCWXLTSTWONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(9)10-7-3-2-6(8)4-7/h2-3,6-7H,4,8H2,1H3.
What are the key properties of (4-aminocyclopent-2-en-1-yl) acetate?
(4-aminocyclopent-2-en-1-yl) acetate has a molecular weight of 141.17 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl) acetate is sourced from PubChem (CID 54113233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).