(Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide

C14H23NO3 — CID 71477667

IUPAC(Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide
SMILESCCCCC/C=C\CCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h6-7,12H,2-5,8-11H2,1H3,(H,15,16)/b7-6-/t12-/m0/s1
InChIKeyXFRPVRMSBQARMO-DGMVEKRQSA-N
MW253.34 g/mol
LogP2.33
Rot. Bonds8

About (Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide

(Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide (PubChem CID 71477667) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide.

Molecular Properties

Compound Name(Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide
PubChem CID71477667
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide
SMILESCCCCC/C=C\CCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h6-7,12H,2-5,8-11H2,1H3,(H,15,16)/b7-6-/t12-/m0/s1
InChIKeyXFRPVRMSBQARMO-DGMVEKRQSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.33
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 (Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide?
The IUPAC name of (Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide (CID 71477667) is (Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide.
What is the SMILES notation for (Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide?
The canonical SMILES for (Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide is CCCCC/C=C\CCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of (Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide?
The InChIKey is XFRPVRMSBQARMO-DGMVEKRQSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h6-7,12H,2-5,8-11H2,1H3,(H,15,16)/b7-6-/t12-/m0/s1.
What are the key properties of (Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide?
(Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide has a molecular weight of 253.34 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3S)-2-oxooxolan-3-yl]dec-4-enamide is sourced from PubChem (CID 71477667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).