3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide

C9H11NO3 — CID 22925054

IUPAC3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide
SMILESCN(C)C(=O)CC(=O)c1ccoc1
InChIInChI=1S/C9H11NO3/c1-10(2)9(12)5-8(11)7-3-4-13-6-7/h3-4,6H,5H2,1-2H3
InChIKeyOVYKXJLRWVNFJM-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.94
Rot. Bonds3

About 3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide

3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide (PubChem CID 22925054) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide.

Molecular Properties

Compound Name3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide
PubChem CID22925054
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide
SMILESCN(C)C(=O)CC(=O)c1ccoc1
InChIInChI=1S/C9H11NO3/c1-10(2)9(12)5-8(11)7-3-4-13-6-7/h3-4,6H,5H2,1-2H3
InChIKeyOVYKXJLRWVNFJM-UHFFFAOYSA-N
XLogP0.94
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide?
The IUPAC name of 3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide (CID 22925054) is 3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide.
What is the SMILES notation for 3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide?
The canonical SMILES for 3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide is CN(C)C(=O)CC(=O)c1ccoc1.
What is the InChIKey of 3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide?
The InChIKey is OVYKXJLRWVNFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-10(2)9(12)5-8(11)7-3-4-13-6-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide?
3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide has a molecular weight of 181.19 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-N,N-dimethyl-3-oxopropanamide is sourced from PubChem (CID 22925054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).