2-(tert-butylamino)-2H-furan-5-one

C8H13NO2 — CID 18520736

IUPAC2-(tert-butylamino)-2H-furan-5-one
SMILESCC(C)(C)NC1C=CC(=O)O1
InChIInChI=1S/C8H13NO2/c1-8(2,3)9-6-4-5-7(10)11-6/h4-6,9H,1-3H3
InChIKeyJIDMIFNJHJWGSE-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.81
Rot. Bonds1

About 2-(tert-butylamino)-2H-furan-5-one

2-(tert-butylamino)-2H-furan-5-one (PubChem CID 18520736) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(tert-butylamino)-2H-furan-5-one.

Molecular Properties

Compound Name2-(tert-butylamino)-2H-furan-5-one
PubChem CID18520736
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(tert-butylamino)-2H-furan-5-one
SMILESCC(C)(C)NC1C=CC(=O)O1
InChIInChI=1S/C8H13NO2/c1-8(2,3)9-6-4-5-7(10)11-6/h4-6,9H,1-3H3
InChIKeyJIDMIFNJHJWGSE-UHFFFAOYSA-N
XLogP0.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-2H-furan-5-one?
The IUPAC name of 2-(tert-butylamino)-2H-furan-5-one (CID 18520736) is 2-(tert-butylamino)-2H-furan-5-one.
What is the SMILES notation for 2-(tert-butylamino)-2H-furan-5-one?
The canonical SMILES for 2-(tert-butylamino)-2H-furan-5-one is CC(C)(C)NC1C=CC(=O)O1.
What is the InChIKey of 2-(tert-butylamino)-2H-furan-5-one?
The InChIKey is JIDMIFNJHJWGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2,3)9-6-4-5-7(10)11-6/h4-6,9H,1-3H3.
What are the key properties of 2-(tert-butylamino)-2H-furan-5-one?
2-(tert-butylamino)-2H-furan-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-2H-furan-5-one is sourced from PubChem (CID 18520736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).