(E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide

C10H15NO3 — CID 10058532

IUPAC(E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide
SMILESCCC/C=C/C(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C10H15NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h4-5,8H,2-3,6-7H2,1H3,(H,11,12)/b5-4+/t8-/m0/s1
InChIKeyMKEIASJTDRQGJA-ZJELKQJVSA-N
MW197.23 g/mol
LogP0.77
Rot. Bonds4

About (E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide

(E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide (PubChem CID 10058532) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide
PubChem CID10058532
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide
SMILESCCC/C=C/C(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C10H15NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h4-5,8H,2-3,6-7H2,1H3,(H,11,12)/b5-4+/t8-/m0/s1
InChIKeyMKEIASJTDRQGJA-ZJELKQJVSA-N
XLogP0.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide?
The IUPAC name of (E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide (CID 10058532) is (E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide.
What is the SMILES notation for (E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide?
The canonical SMILES for (E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide is CCC/C=C/C(=O)N[C@H]1CCOC1=O.
What is the InChIKey of (E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide?
The InChIKey is MKEIASJTDRQGJA-ZJELKQJVSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h4-5,8H,2-3,6-7H2,1H3,(H,11,12)/b5-4+/t8-/m0/s1.
What are the key properties of (E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide?
(E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide has a molecular weight of 197.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3S)-2-oxooxolan-3-yl]hex-2-enamide is sourced from PubChem (CID 10058532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).