N-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide

C9H13NO3 — CID 89276773

IUPACN-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide
SMILESCC1C=CC(C(C)C(=O)NC=O)O1
InChIInChI=1S/C9H13NO3/c1-6-3-4-8(13-6)7(2)9(12)10-5-11/h3-8H,1-2H3,(H,10,11,12)
InChIKeyNPFIFZQKITXBRT-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.24
Rot. Bonds3

About N-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide

N-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide (PubChem CID 89276773) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide.

Molecular Properties

Compound NameN-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide
PubChem CID89276773
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC NameN-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide
SMILESCC1C=CC(C(C)C(=O)NC=O)O1
InChIInChI=1S/C9H13NO3/c1-6-3-4-8(13-6)7(2)9(12)10-5-11/h3-8H,1-2H3,(H,10,11,12)
InChIKeyNPFIFZQKITXBRT-UHFFFAOYSA-N
XLogP0.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide?
The IUPAC name of N-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide (CID 89276773) is N-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide.
What is the SMILES notation for N-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide?
The canonical SMILES for N-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide is CC1C=CC(C(C)C(=O)NC=O)O1.
What is the InChIKey of N-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide?
The InChIKey is NPFIFZQKITXBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6-3-4-8(13-6)7(2)9(12)10-5-11/h3-8H,1-2H3,(H,10,11,12).
What are the key properties of N-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide?
N-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide has a molecular weight of 183.21 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-2-(5-methyl-2,5-dihydrofuran-2-yl)propanamide is sourced from PubChem (CID 89276773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).