N-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide

C10H15NO3 — CID 118584248

IUPACN-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide
SMILESCCC(NC(C)=O)[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C10H15NO3/c1-3-8(11-7(2)12)9-5-4-6-10(13)14-9/h4,6,8-9H,3,5H2,1-2H3,(H,11,12)/t8?,9-/m0/s1
InChIKeyPHAIMPLEVDOPOQ-GKAPJAKFSA-N
MW197.23 g/mol
LogP0.77
Rot. Bonds3

About N-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide

N-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide (PubChem CID 118584248) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide
PubChem CID118584248
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide
SMILESCCC(NC(C)=O)[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C10H15NO3/c1-3-8(11-7(2)12)9-5-4-6-10(13)14-9/h4,6,8-9H,3,5H2,1-2H3,(H,11,12)/t8?,9-/m0/s1
InChIKeyPHAIMPLEVDOPOQ-GKAPJAKFSA-N
XLogP0.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide?
The IUPAC name of N-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide (CID 118584248) is N-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide.
What is the SMILES notation for N-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide?
The canonical SMILES for N-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide is CCC(NC(C)=O)[C@@H]1CC=CC(=O)O1.
What is the InChIKey of N-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide?
The InChIKey is PHAIMPLEVDOPOQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-8(11-7(2)12)9-5-4-6-10(13)14-9/h4,6,8-9H,3,5H2,1-2H3,(H,11,12)/t8?,9-/m0/s1.
What are the key properties of N-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide?
N-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide has a molecular weight of 197.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]propyl]acetamide is sourced from PubChem (CID 118584248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).