N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide

C8H13NO2 — CID 70641338

IUPACN-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide
SMILESCC(=O)NCC1=CCOCC1
InChIInChI=1S/C8H13NO2/c1-7(10)9-6-8-2-4-11-5-3-8/h2H,3-6H2,1H3,(H,9,10)
InChIKeyVAISZIDQSHBBSZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.47
Rot. Bonds2

About N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide

N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide (PubChem CID 70641338) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide
PubChem CID70641338
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide
SMILESCC(=O)NCC1=CCOCC1
InChIInChI=1S/C8H13NO2/c1-7(10)9-6-8-2-4-11-5-3-8/h2H,3-6H2,1H3,(H,9,10)
InChIKeyVAISZIDQSHBBSZ-UHFFFAOYSA-N
XLogP0.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide?
The IUPAC name of N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide (CID 70641338) is N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide is CC(=O)NCC1=CCOCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide?
The InChIKey is VAISZIDQSHBBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(10)9-6-8-2-4-11-5-3-8/h2H,3-6H2,1H3,(H,9,10).
What are the key properties of N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide?
N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide has a molecular weight of 155.20 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide is sourced from PubChem (CID 70641338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).