3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide

C11H15NO2 — CID 130597720

IUPAC3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide
SMILESCC(C)=CC(=O)NCc1occc1C
InChIInChI=1S/C11H15NO2/c1-8(2)6-11(13)12-7-10-9(3)4-5-14-10/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyMJUWRDQQLSUJIC-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.17
Rot. Bonds3

About 3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide

3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide (PubChem CID 130597720) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide
PubChem CID130597720
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide
SMILESCC(C)=CC(=O)NCc1occc1C
InChIInChI=1S/C11H15NO2/c1-8(2)6-11(13)12-7-10-9(3)4-5-14-10/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyMJUWRDQQLSUJIC-UHFFFAOYSA-N
XLogP2.17
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide?
The IUPAC name of 3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide (CID 130597720) is 3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide is CC(C)=CC(=O)NCc1occc1C.
What is the InChIKey of 3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide?
The InChIKey is MJUWRDQQLSUJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)6-11(13)12-7-10-9(3)4-5-14-10/h4-6H,7H2,1-3H3,(H,12,13).
What are the key properties of 3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide?
3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide has a molecular weight of 193.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide is sourced from PubChem (CID 130597720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).