(E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide

C15H25NO3 — CID 135163851

IUPAC(E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide
SMILESCCCCC/C=C/CC(=O)N[C@H]1C(=O)O[C@@H](C)[C@@H]1C
InChIInChI=1S/C15H25NO3/c1-4-5-6-7-8-9-10-13(17)16-14-11(2)12(3)19-15(14)18/h8-9,11-12,14H,4-7,10H2,1-3H3,(H,16,17)/b9-8+/t11-,12-,14+/m0/s1
InChIKeyHYXSSZZYPVIFPM-QMUQMZHSSA-N
MW267.37 g/mol
LogP2.58
Rot. Bonds7

About (E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide

(E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide (PubChem CID 135163851) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide.

Molecular Properties

Compound Name(E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide
PubChem CID135163851
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide
SMILESCCCCC/C=C/CC(=O)N[C@H]1C(=O)O[C@@H](C)[C@@H]1C
InChIInChI=1S/C15H25NO3/c1-4-5-6-7-8-9-10-13(17)16-14-11(2)12(3)19-15(14)18/h8-9,11-12,14H,4-7,10H2,1-3H3,(H,16,17)/b9-8+/t11-,12-,14+/m0/s1
InChIKeyHYXSSZZYPVIFPM-QMUQMZHSSA-N
XLogP2.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide?
The IUPAC name of (E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide (CID 135163851) is (E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide.
What is the SMILES notation for (E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide?
The canonical SMILES for (E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide is CCCCC/C=C/CC(=O)N[C@H]1C(=O)O[C@@H](C)[C@@H]1C.
What is the InChIKey of (E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide?
The InChIKey is HYXSSZZYPVIFPM-QMUQMZHSSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-5-6-7-8-9-10-13(17)16-14-11(2)12(3)19-15(14)18/h8-9,11-12,14H,4-7,10H2,1-3H3,(H,16,17)/b9-8+/t11-,12-,14+/m0/s1.
What are the key properties of (E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide?
(E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide has a molecular weight of 267.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3R,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]non-3-enamide is sourced from PubChem (CID 135163851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).