[(1R,4S)-4-aminocyclopent-2-en-1-yl] formate

C6H9NO2 — CID 87539522

IUPAC[(1R,4S)-4-aminocyclopent-2-en-1-yl] formate
SMILESN[C@@H]1C=C[C@H](OC=O)C1
InChIInChI=1S/C6H9NO2/c7-5-1-2-6(3-5)9-4-8/h1-2,4-6H,3,7H2/t5-,6+/m1/s1
InChIKeyLOYMBTHTELLUAG-RITPCOANSA-N
MW127.14 g/mol
LogP-0.18
Rot. Bonds2

About [(1R,4S)-4-aminocyclopent-2-en-1-yl] formate

[(1R,4S)-4-aminocyclopent-2-en-1-yl] formate (PubChem CID 87539522) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is [(1R,4S)-4-aminocyclopent-2-en-1-yl] formate.

Molecular Properties

Compound Name[(1R,4S)-4-aminocyclopent-2-en-1-yl] formate
PubChem CID87539522
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name[(1R,4S)-4-aminocyclopent-2-en-1-yl] formate
SMILESN[C@@H]1C=C[C@H](OC=O)C1
InChIInChI=1S/C6H9NO2/c7-5-1-2-6(3-5)9-4-8/h1-2,4-6H,3,7H2/t5-,6+/m1/s1
InChIKeyLOYMBTHTELLUAG-RITPCOANSA-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 [(1R,4S)-4-aminocyclopent-2-en-1-yl] formate?
The IUPAC name of [(1R,4S)-4-aminocyclopent-2-en-1-yl] formate (CID 87539522) is [(1R,4S)-4-aminocyclopent-2-en-1-yl] formate.
What is the SMILES notation for [(1R,4S)-4-aminocyclopent-2-en-1-yl] formate?
The canonical SMILES for [(1R,4S)-4-aminocyclopent-2-en-1-yl] formate is N[C@@H]1C=C[C@H](OC=O)C1.
What is the InChIKey of [(1R,4S)-4-aminocyclopent-2-en-1-yl] formate?
The InChIKey is LOYMBTHTELLUAG-RITPCOANSA-N. The full InChI is InChI=1S/C6H9NO2/c7-5-1-2-6(3-5)9-4-8/h1-2,4-6H,3,7H2/t5-,6+/m1/s1.
What are the key properties of [(1R,4S)-4-aminocyclopent-2-en-1-yl] formate?
[(1R,4S)-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 [(1R,4S)-4-aminocyclopent-2-en-1-yl] formate is sourced from PubChem (CID 87539522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).