N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide

C10H13NO3 — CID 169466848

IUPACN-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(CO)o1
InChIInChI=1S/C10H13NO3/c1-8(13)11-6-2-3-9-4-5-10(7-12)14-9/h2-5,12H,6-7H2,1H3,(H,11,13)
InChIKeyODLHLLMYDSAYBU-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.92
Rot. Bonds4

About N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide

N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide (PubChem CID 169466848) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide
PubChem CID169466848
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC NameN-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(CO)o1
InChIInChI=1S/C10H13NO3/c1-8(13)11-6-2-3-9-4-5-10(7-12)14-9/h2-5,12H,6-7H2,1H3,(H,11,13)
InChIKeyODLHLLMYDSAYBU-UHFFFAOYSA-N
XLogP0.92
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide (CID 169466848) is N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(CO)o1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide?
The InChIKey is ODLHLLMYDSAYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-8(13)11-6-2-3-9-4-5-10(7-12)14-9/h2-5,12H,6-7H2,1H3,(H,11,13).
What are the key properties of N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide?
N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide has a molecular weight of 195.22 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide is sourced from PubChem (CID 169466848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).