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

C8H13NO2 — CID 21475002

IUPAC(4-aminocyclopent-2-en-1-yl)methyl acetate
SMILESCC(=O)OCC1C=CC(N)C1
InChIInChI=1S/C8H13NO2/c1-6(10)11-5-7-2-3-8(9)4-7/h2-3,7-8H,4-5,9H2,1H3
InChIKeyDVMWDLDXHSIJKS-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.45
Rot. Bonds2

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

(4-aminocyclopent-2-en-1-yl)methyl acetate (PubChem CID 21475002) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)methyl acetate.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)methyl acetate
PubChem CID21475002
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(4-aminocyclopent-2-en-1-yl)methyl acetate
SMILESCC(=O)OCC1C=CC(N)C1
InChIInChI=1S/C8H13NO2/c1-6(10)11-5-7-2-3-8(9)4-7/h2-3,7-8H,4-5,9H2,1H3
InChIKeyDVMWDLDXHSIJKS-UHFFFAOYSA-N
XLogP0.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
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 (4-aminocyclopent-2-en-1-yl)methyl acetate?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)methyl acetate (CID 21475002) is (4-aminocyclopent-2-en-1-yl)methyl acetate.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)methyl acetate?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)methyl acetate is CC(=O)OCC1C=CC(N)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)methyl acetate?
The InChIKey is DVMWDLDXHSIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(10)11-5-7-2-3-8(9)4-7/h2-3,7-8H,4-5,9H2,1H3.
What are the key properties of (4-aminocyclopent-2-en-1-yl)methyl acetate?
(4-aminocyclopent-2-en-1-yl)methyl acetate has a molecular weight of 155.20 g/mol, XLogP of 0.45, 2 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)methyl acetate is sourced from PubChem (CID 21475002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).