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

C11H19NO2 — CID 131186217

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1=CCCOC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)10(13)12-7-9-5-4-6-14-8-9/h5H,4,6-8H2,1-3H3,(H,12,13)
InChIKeyUGINNPKJDHXEJF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.50
Rot. Bonds2

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-dimethylpropanamide (PubChem CID 131186217) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-dimethylpropanamide
PubChem CID131186217
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1=CCCOC1
InChIInChI=1S/C11H19NO2/c1-11(2,3)10(13)12-7-9-5-4-6-14-8-9/h5H,4,6-8H2,1-3H3,(H,12,13)
InChIKeyUGINNPKJDHXEJF-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.50
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)-2,2-dimethylpropanamide?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-dimethylpropanamide (CID 131186217) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-dimethylpropanamide?
The InChIKey is UGINNPKJDHXEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)10(13)12-7-9-5-4-6-14-8-9/h5H,4,6-8H2,1-3H3,(H,12,13).
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-dimethylpropanamide?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-dimethylpropanamide has a molecular weight of 197.28 g/mol, XLogP of 1.50, 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-5-ylmethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 131186217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).