N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide

C9H15NO2 — CID 131176346

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide
SMILESCCC(=O)NCC1=CCCOC1
InChIInChI=1S/C9H15NO2/c1-2-9(11)10-6-8-4-3-5-12-7-8/h4H,2-3,5-7H2,1H3,(H,10,11)
InChIKeyVHWRTKFNIZQGDC-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide

N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide (PubChem CID 131176346) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide
PubChem CID131176346
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide
SMILESCCC(=O)NCC1=CCCOC1
InChIInChI=1S/C9H15NO2/c1-2-9(11)10-6-8-4-3-5-12-7-8/h4H,2-3,5-7H2,1H3,(H,10,11)
InChIKeyVHWRTKFNIZQGDC-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide (CID 131176346) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide is CCC(=O)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide?
The InChIKey is VHWRTKFNIZQGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-9(11)10-6-8-4-3-5-12-7-8/h4H,2-3,5-7H2,1H3,(H,10,11).
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide has a molecular weight of 169.22 g/mol, XLogP of 0.86, 3 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-5-ylmethyl)propanamide is sourced from PubChem (CID 131176346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).