5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide

C11H19NO3 — CID 171350040

IUPAC5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide
SMILESCC(C)CCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C11H19NO3/c1-8(2)4-3-5-10(13)12-9-6-7-15-11(9)14/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeySEMRHGBMGNFGPQ-VIFPVBQESA-N
MW213.28 g/mol
LogP1.24
Rot. Bonds5

About 5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide

5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide (PubChem CID 171350040) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide.

Molecular Properties

Compound Name5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide
PubChem CID171350040
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide
SMILESCC(C)CCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C11H19NO3/c1-8(2)4-3-5-10(13)12-9-6-7-15-11(9)14/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeySEMRHGBMGNFGPQ-VIFPVBQESA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide?
The IUPAC name of 5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide (CID 171350040) is 5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide.
What is the SMILES notation for 5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide?
The canonical SMILES for 5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide is CC(C)CCCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide?
The InChIKey is SEMRHGBMGNFGPQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)4-3-5-10(13)12-9-6-7-15-11(9)14/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of 5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide?
5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide has a molecular weight of 213.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3S)-2-oxooxolan-3-yl]hexanamide is sourced from PubChem (CID 171350040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).