N-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide

C9H11NO2 — CID 130324382

IUPACN-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide
SMILESCC(=O)N(C)/C=C/c1ccoc1
InChIInChI=1S/C9H11NO2/c1-8(11)10(2)5-3-9-4-6-12-7-9/h3-7H,1-2H3/b5-3+
InChIKeyPBNGVVCYEYKATC-HWKANZROSA-N
MW165.19 g/mol
LogP1.73
Rot. Bonds2

About N-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide

N-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide (PubChem CID 130324382) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide
PubChem CID130324382
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide
SMILESCC(=O)N(C)/C=C/c1ccoc1
InChIInChI=1S/C9H11NO2/c1-8(11)10(2)5-3-9-4-6-12-7-9/h3-7H,1-2H3/b5-3+
InChIKeyPBNGVVCYEYKATC-HWKANZROSA-N
XLogP1.73
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide?
The IUPAC name of N-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide (CID 130324382) is N-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide.
What is the SMILES notation for N-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide?
The canonical SMILES for N-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide is CC(=O)N(C)/C=C/c1ccoc1.
What is the InChIKey of N-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide?
The InChIKey is PBNGVVCYEYKATC-HWKANZROSA-N. The full InChI is InChI=1S/C9H11NO2/c1-8(11)10(2)5-3-9-4-6-12-7-9/h3-7H,1-2H3/b5-3+.
What are the key properties of N-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide?
N-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide has a molecular weight of 165.19 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(furan-3-yl)ethenyl]-N-methylacetamide is sourced from PubChem (CID 130324382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).