2-(diethylamino)-3,4-dimethyl-2H-furan-5-one

C10H17NO2 — CID 574097

IUPAC2-(diethylamino)-3,4-dimethyl-2H-furan-5-one
SMILESCCN(CC)C1OC(=O)C(C)=C1C
InChIInChI=1S/C10H17NO2/c1-5-11(6-2)9-7(3)8(4)10(12)13-9/h9H,5-6H2,1-4H3
InChIKeyIBUNWSWRXGCJIC-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.55
Rot. Bonds3

About 2-(diethylamino)-3,4-dimethyl-2H-furan-5-one

2-(diethylamino)-3,4-dimethyl-2H-furan-5-one (PubChem CID 574097) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(diethylamino)-3,4-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(diethylamino)-3,4-dimethyl-2H-furan-5-one
PubChem CID574097
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(diethylamino)-3,4-dimethyl-2H-furan-5-one
SMILESCCN(CC)C1OC(=O)C(C)=C1C
InChIInChI=1S/C10H17NO2/c1-5-11(6-2)9-7(3)8(4)10(12)13-9/h9H,5-6H2,1-4H3
InChIKeyIBUNWSWRXGCJIC-UHFFFAOYSA-N
XLogP1.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-3,4-dimethyl-2H-furan-5-one?
The IUPAC name of 2-(diethylamino)-3,4-dimethyl-2H-furan-5-one (CID 574097) is 2-(diethylamino)-3,4-dimethyl-2H-furan-5-one.
What is the SMILES notation for 2-(diethylamino)-3,4-dimethyl-2H-furan-5-one?
The canonical SMILES for 2-(diethylamino)-3,4-dimethyl-2H-furan-5-one is CCN(CC)C1OC(=O)C(C)=C1C.
What is the InChIKey of 2-(diethylamino)-3,4-dimethyl-2H-furan-5-one?
The InChIKey is IBUNWSWRXGCJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-11(6-2)9-7(3)8(4)10(12)13-9/h9H,5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-3,4-dimethyl-2H-furan-5-one?
2-(diethylamino)-3,4-dimethyl-2H-furan-5-one has a molecular weight of 183.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-3,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 574097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).