N-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide

C7H11NO2 — CID 88981807

IUPACN-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide
SMILESCC(=O)N[C@H]1CC=COC1
InChIInChI=1S/C7H11NO2/c1-6(9)8-7-3-2-4-10-5-7/h2,4,7H,3,5H2,1H3,(H,8,9)/t7-/m0/s1
InChIKeyCSQWGDNYYWCNCL-ZETCQYMHSA-N
MW141.17 g/mol
LogP0.43
Rot. Bonds1

About N-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide

N-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide (PubChem CID 88981807) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide
PubChem CID88981807
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide
SMILESCC(=O)N[C@H]1CC=COC1
InChIInChI=1S/C7H11NO2/c1-6(9)8-7-3-2-4-10-5-7/h2,4,7H,3,5H2,1H3,(H,8,9)/t7-/m0/s1
InChIKeyCSQWGDNYYWCNCL-ZETCQYMHSA-N
XLogP0.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide?
The IUPAC name of N-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide (CID 88981807) is N-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide?
The canonical SMILES for N-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide is CC(=O)N[C@H]1CC=COC1.
What is the InChIKey of N-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide?
The InChIKey is CSQWGDNYYWCNCL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6(9)8-7-3-2-4-10-5-7/h2,4,7H,3,5H2,1H3,(H,8,9)/t7-/m0/s1.
What are the key properties of N-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide?
N-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide has a molecular weight of 141.17 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide is sourced from PubChem (CID 88981807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).