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

C6H9NO2 — CID 57121356

IUPAC(4-aminocyclopent-2-en-1-yl) formate
SMILESNC1C=CC(OC=O)C1
InChIInChI=1S/C6H9NO2/c7-5-1-2-6(3-5)9-4-8/h1-2,4-6H,3,7H2
InChIKeyLOYMBTHTELLUAG-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.18
Rot. Bonds2

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

(4-aminocyclopent-2-en-1-yl) formate (PubChem CID 57121356) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl) formate.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl) formate
PubChem CID57121356
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(4-aminocyclopent-2-en-1-yl) formate
SMILESNC1C=CC(OC=O)C1
InChIInChI=1S/C6H9NO2/c7-5-1-2-6(3-5)9-4-8/h1-2,4-6H,3,7H2
InChIKeyLOYMBTHTELLUAG-UHFFFAOYSA-N
XLogP-0.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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) formate?
The IUPAC name of (4-aminocyclopent-2-en-1-yl) formate (CID 57121356) is (4-aminocyclopent-2-en-1-yl) formate.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl) formate?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl) formate is NC1C=CC(OC=O)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl) formate?
The InChIKey is LOYMBTHTELLUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c7-5-1-2-6(3-5)9-4-8/h1-2,4-6H,3,7H2.
What are the key properties of (4-aminocyclopent-2-en-1-yl) formate?
(4-aminocyclopent-2-en-1-yl) formate has a molecular weight of 127.14 g/mol, XLogP of -0.18, 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) formate is sourced from PubChem (CID 57121356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).