2,2-dimethyl-N-[(2S,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]propanamide

C11H19NO2 — CID 130898719

IUPAC2,2-dimethyl-N-[(2S,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]propanamide
SMILESC[C@H]1C[C@H](NC(=O)C(C)(C)C)C=CO1
InChIInChI=1S/C11H19NO2/c1-8-7-9(5-6-14-8)12-10(13)11(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyWBDOHXYDQYTKRP-DTWKUNHWSA-N
MW197.28 g/mol
LogP1.84
Rot. Bonds1

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

2,2-dimethyl-N-[(2S,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]propanamide (PubChem CID 130898719) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2S,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2S,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]propanamide
PubChem CID130898719
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2,2-dimethyl-N-[(2S,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]propanamide
SMILESC[C@H]1C[C@H](NC(=O)C(C)(C)C)C=CO1
InChIInChI=1S/C11H19NO2/c1-8-7-9(5-6-14-8)12-10(13)11(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyWBDOHXYDQYTKRP-DTWKUNHWSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2S,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2S,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]propanamide (CID 130898719) is 2,2-dimethyl-N-[(2S,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2S,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2S,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]propanamide is C[C@H]1C[C@H](NC(=O)C(C)(C)C)C=CO1.
What is the InChIKey of 2,2-dimethyl-N-[(2S,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]propanamide?
The InChIKey is WBDOHXYDQYTKRP-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-7-9(5-6-14-8)12-10(13)11(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(2S,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]propanamide?
2,2-dimethyl-N-[(2S,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]propanamide has a molecular weight of 197.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2S,4S)-2-methyl-3,4-dihydro-2H-pyran-4-yl]propanamide is sourced from PubChem (CID 130898719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).