3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide

C13H15NO4 — CID 136544172

IUPAC3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NC2(C)CCOC2=O)o1
InChIInChI=1S/C13H15NO4/c1-9-3-4-10(18-9)5-6-11(15)14-13(2)7-8-17-12(13)16/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyBKXNQOZZSAXDSQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.42
Rot. Bonds3

About 3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide

3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide (PubChem CID 136544172) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide
PubChem CID136544172
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NC2(C)CCOC2=O)o1
InChIInChI=1S/C13H15NO4/c1-9-3-4-10(18-9)5-6-11(15)14-13(2)7-8-17-12(13)16/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyBKXNQOZZSAXDSQ-UHFFFAOYSA-N
XLogP1.42
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cycloheptane-1-carboxylic acid
CID 43360670
2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid
CID 77058333
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 115880719
(E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923455
(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 115362561
(E)-3-(5-methylfuran-2-yl)-N-[3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6074056
1-[[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435589
(E)-N-[2,2-dimethyl-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2165350
(E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26877417
(E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide
CID 56786269
(E)-N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75534125

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide (CID 136544172) is 3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide is Cc1ccc(C=CC(=O)NC2(C)CCOC2=O)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide?
The InChIKey is BKXNQOZZSAXDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9-3-4-10(18-9)5-6-11(15)14-13(2)7-8-17-12(13)16/h3-6H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide?
3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide has a molecular weight of 249.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide is sourced from PubChem (CID 136544172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).