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

C8H13NO2 — CID 70641340

IUPACN-(3,4-dihydro-2H-pyran-4-ylmethyl)acetamide
SMILESCC(=O)NCC1C=COCC1
InChIInChI=1S/C8H13NO2/c1-7(10)9-6-8-2-4-11-5-3-8/h2,4,8H,3,5-6H2,1H3,(H,9,10)
InChIKeyXAWDFLRYRUMNNQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.67
Rot. Bonds2

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

N-(3,4-dihydro-2H-pyran-4-ylmethyl)acetamide (PubChem CID 70641340) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-4-ylmethyl)acetamide
PubChem CID70641340
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(3,4-dihydro-2H-pyran-4-ylmethyl)acetamide
SMILESCC(=O)NCC1C=COCC1
InChIInChI=1S/C8H13NO2/c1-7(10)9-6-8-2-4-11-5-3-8/h2,4,8H,3,5-6H2,1H3,(H,9,10)
InChIKeyXAWDFLRYRUMNNQ-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-4-ylmethyl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-pyran-4-ylmethyl)acetamide (CID 70641340) is N-(3,4-dihydro-2H-pyran-4-ylmethyl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-4-ylmethyl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-4-ylmethyl)acetamide is CC(=O)NCC1C=COCC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-4-ylmethyl)acetamide?
The InChIKey is XAWDFLRYRUMNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(10)9-6-8-2-4-11-5-3-8/h2,4,8H,3,5-6H2,1H3,(H,9,10).
What are the key properties of N-(3,4-dihydro-2H-pyran-4-ylmethyl)acetamide?
N-(3,4-dihydro-2H-pyran-4-ylmethyl)acetamide has a molecular weight of 155.20 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-4-ylmethyl)acetamide is sourced from PubChem (CID 70641340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).