N-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide

C9H15NO2 — CID 54105911

IUPACN-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide
SMILESCC(=O)NC1C=COC(C)(C)C1
InChIInChI=1S/C9H15NO2/c1-7(11)10-8-4-5-12-9(2,3)6-8/h4-5,8H,6H2,1-3H3,(H,10,11)
InChIKeyNDTBCOYYPSFWRI-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.20
Rot. Bonds1

About N-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide

N-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide (PubChem CID 54105911) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide
PubChem CID54105911
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide
SMILESCC(=O)NC1C=COC(C)(C)C1
InChIInChI=1S/C9H15NO2/c1-7(11)10-8-4-5-12-9(2,3)6-8/h4-5,8H,6H2,1-3H3,(H,10,11)
InChIKeyNDTBCOYYPSFWRI-UHFFFAOYSA-N
XLogP1.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide (CID 54105911) is N-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide is CC(=O)NC1C=COC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide?
The InChIKey is NDTBCOYYPSFWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(11)10-8-4-5-12-9(2,3)6-8/h4-5,8H,6H2,1-3H3,(H,10,11).
What are the key properties of N-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide?
N-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide has a molecular weight of 169.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydropyran-4-yl)acetamide is sourced from PubChem (CID 54105911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).