5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide

C12H20N2O2 — CID 74997575

IUPAC5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCC1C(=O)OC2CCCC21
InChIInChI=1S/C12H20N2O2/c13-11(14)7-2-1-4-9-8-5-3-6-10(8)16-12(9)15/h8-10H,1-7H2,(H3,13,14)
InChIKeyLLZNZOUKCHIYKS-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.82
Rot. Bonds5

About 5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide

5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide (PubChem CID 74997575) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide.

Molecular Properties

Compound Name5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide
PubChem CID74997575
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCC1C(=O)OC2CCCC21
InChIInChI=1S/C12H20N2O2/c13-11(14)7-2-1-4-9-8-5-3-6-10(8)16-12(9)15/h8-10H,1-7H2,(H3,13,14)
InChIKeyLLZNZOUKCHIYKS-UHFFFAOYSA-N
XLogP1.82
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide?
The IUPAC name of 5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide (CID 74997575) is 5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide.
What is the SMILES notation for 5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide?
The canonical SMILES for 5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide is [H]/N=C(\N)CCCCC1C(=O)OC2CCCC21.
What is the InChIKey of 5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide?
The InChIKey is LLZNZOUKCHIYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-11(14)7-2-1-4-9-8-5-3-6-10(8)16-12(9)15/h8-10H,1-7H2,(H3,13,14).
What are the key properties of 5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide?
5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide has a molecular weight of 224.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl)pentanimidamide is sourced from PubChem (CID 74997575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).