(3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one

C7H9NO2 — CID 10510925

IUPAC(3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESN[C@@H]1C(=O)O[C@@H]2C=CC[C@H]12
InChIInChI=1S/C7H9NO2/c8-6-4-2-1-3-5(4)10-7(6)9/h1,3-6H,2,8H2/t4-,5+,6-/m0/s1
InChIKeyFOYAMRCAKRZJQQ-JKUQZMGJSA-N
MW139.15 g/mol
LogP-0.18
Rot. Bonds

About (3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one

(3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one (PubChem CID 10510925) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
PubChem CID10510925
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESN[C@@H]1C(=O)O[C@@H]2C=CC[C@H]12
InChIInChI=1S/C7H9NO2/c8-6-4-2-1-3-5(4)10-7(6)9/h1,3-6H,2,8H2/t4-,5+,6-/m0/s1
InChIKeyFOYAMRCAKRZJQQ-JKUQZMGJSA-N
XLogP-0.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one (CID 10510925) is (3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one is N[C@@H]1C(=O)O[C@@H]2C=CC[C@H]12.
What is the InChIKey of (3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one?
The InChIKey is FOYAMRCAKRZJQQ-JKUQZMGJSA-N. The full InChI is InChI=1S/C7H9NO2/c8-6-4-2-1-3-5(4)10-7(6)9/h1,3-6H,2,8H2/t4-,5+,6-/m0/s1.
What are the key properties of (3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one?
(3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one has a molecular weight of 139.15 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6aR)-3-amino-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 10510925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).