N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide

C9H13NO3 — CID 89020241

IUPACN-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide
SMILESCCC(=O)CNC(=O)C1=CCCO1
InChIInChI=1S/C9H13NO3/c1-2-7(11)6-10-9(12)8-4-3-5-13-8/h4H,2-3,5-6H2,1H3,(H,10,12)
InChIKeyMNCIXTHKRZSYQH-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.39
Rot. Bonds4

About N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide

N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide (PubChem CID 89020241) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide
PubChem CID89020241
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC NameN-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide
SMILESCCC(=O)CNC(=O)C1=CCCO1
InChIInChI=1S/C9H13NO3/c1-2-7(11)6-10-9(12)8-4-3-5-13-8/h4H,2-3,5-6H2,1H3,(H,10,12)
InChIKeyMNCIXTHKRZSYQH-UHFFFAOYSA-N
XLogP0.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide (CID 89020241) is N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide is CCC(=O)CNC(=O)C1=CCCO1.
What is the InChIKey of N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide?
The InChIKey is MNCIXTHKRZSYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-7(11)6-10-9(12)8-4-3-5-13-8/h4H,2-3,5-6H2,1H3,(H,10,12).
What are the key properties of N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide?
N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 89020241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).