N-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide

C9H12N2O2 — CID 7159804

IUPACN-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](C)C=C(C#N)O1
InChIInChI=1S/C9H12N2O2/c1-6-3-8(5-10)13-9(4-6)11-7(2)12/h3,6,9H,4H2,1-2H3,(H,11,12)/t6-,9+/m1/s1
InChIKeyWYZDSZOHRGRRDZ-MUWHJKNJSA-N
MW180.21 g/mol
LogP0.91
Rot. Bonds1

About N-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide

N-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide (PubChem CID 7159804) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide
PubChem CID7159804
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](C)C=C(C#N)O1
InChIInChI=1S/C9H12N2O2/c1-6-3-8(5-10)13-9(4-6)11-7(2)12/h3,6,9H,4H2,1-2H3,(H,11,12)/t6-,9+/m1/s1
InChIKeyWYZDSZOHRGRRDZ-MUWHJKNJSA-N
XLogP0.91
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide?
The IUPAC name of N-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide (CID 7159804) is N-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide.
What is the SMILES notation for N-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide?
The canonical SMILES for N-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide is CC(=O)N[C@@H]1C[C@H](C)C=C(C#N)O1.
What is the InChIKey of N-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide?
The InChIKey is WYZDSZOHRGRRDZ-MUWHJKNJSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-3-8(5-10)13-9(4-6)11-7(2)12/h3,6,9H,4H2,1-2H3,(H,11,12)/t6-,9+/m1/s1.
What are the key properties of N-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide?
N-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide has a molecular weight of 180.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-6-cyano-4-methyl-3,4-dihydro-2H-pyran-2-yl]acetamide is sourced from PubChem (CID 7159804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).