(2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide

C15H23NO3 — CID 89207420

IUPAC(2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide
SMILESC=CCNC(=O)C1C(=C)C(=O)O[C@@H]1CCCCCC
InChIInChI=1S/C15H23NO3/c1-4-6-7-8-9-12-13(11(3)15(18)19-12)14(17)16-10-5-2/h5,12-13H,2-4,6-10H2,1H3,(H,16,17)/t12-,13?/m1/s1
InChIKeyOKTPWAYLLPCEFZ-PZORYLMUSA-N
MW265.35 g/mol
LogP2.36
Rot. Bonds8

About (2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide

(2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide (PubChem CID 89207420) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide.

Molecular Properties

Compound Name(2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide
PubChem CID89207420
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide
SMILESC=CCNC(=O)C1C(=C)C(=O)O[C@@H]1CCCCCC
InChIInChI=1S/C15H23NO3/c1-4-6-7-8-9-12-13(11(3)15(18)19-12)14(17)16-10-5-2/h5,12-13H,2-4,6-10H2,1H3,(H,16,17)/t12-,13?/m1/s1
InChIKeyOKTPWAYLLPCEFZ-PZORYLMUSA-N
XLogP2.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.36
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
CID 4248455
(2R,3S)-4-methylidene-5-oxo-2-pentyloxolane-3-carboxylic acid
CID 10954857
(2S,3R)-2-butyl-4-methylidene-5-oxooxolane-3-carboxylic acid
CID 11229378
(4R,5R)-4-(hydroxymethyl)-3-methylidene-5-tridecyloxolan-2-one
CID 10781286
(3aR,4R,6aR)-3,6-dimethylidene-4-octyl-4,6a-dihydro-3aH-furo[3,4-b]furan-2-one
CID 122606318
butyl (2S)-2-hydroxy-2-[(2R,3R)-4-methylidene-2-octyl-5-oxooxolan-3-yl]acetate
CID 10871538
3-tetradecanoyl-4-tridecyloxetan-2-one
CID 146344704
methyl (3S,4R,5R)-3-chloro-4-ethenyl-5-octyl-2-oxooxolane-3-carboxylate
CID 10990735
N-prop-2-enyloctanamide
CID 4071942
(4S,5S)-4-hex-5-enyl-3-methylidene-5-non-8-enyloxolan-2-one
CID 15866742
(4S,5R)-5-hex-5-enyl-3-methylidene-4-non-8-enyloxolan-2-one
CID 101191974
2-pentyl-N-prop-2-enylundecanamide
CID 5180097

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide?
The IUPAC name of (2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide (CID 89207420) is (2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide.
What is the SMILES notation for (2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide?
The canonical SMILES for (2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide is C=CCNC(=O)C1C(=C)C(=O)O[C@@H]1CCCCCC.
What is the InChIKey of (2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide?
The InChIKey is OKTPWAYLLPCEFZ-PZORYLMUSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-6-7-8-9-12-13(11(3)15(18)19-12)14(17)16-10-5-2/h5,12-13H,2-4,6-10H2,1H3,(H,16,17)/t12-,13?/m1/s1.
What are the key properties of (2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide?
(2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide has a molecular weight of 265.35 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hexyl-4-methylidene-5-oxo-N-prop-2-enyloxolane-3-carboxamide is sourced from PubChem (CID 89207420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).