(5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one

C12H21NO2 — CID 10465755

IUPAC(5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one
SMILESCCCC/C=C/[C@@H]1OC(=O)CN(C)[C@H]1C
InChIInChI=1S/C12H21NO2/c1-4-5-6-7-8-11-10(2)13(3)9-12(14)15-11/h7-8,10-11H,4-6,9H2,1-3H3/b8-7+/t10-,11-/m0/s1
InChIKeyRLKPJWFHMZVVKF-IJUHFESZSA-N
MW211.30 g/mol
LogP1.98
Rot. Bonds4

About (5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one

(5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one (PubChem CID 10465755) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one.

Molecular Properties

Compound Name(5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one
PubChem CID10465755
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one
SMILESCCCC/C=C/[C@@H]1OC(=O)CN(C)[C@H]1C
InChIInChI=1S/C12H21NO2/c1-4-5-6-7-8-11-10(2)13(3)9-12(14)15-11/h7-8,10-11H,4-6,9H2,1-3H3/b8-7+/t10-,11-/m0/s1
InChIKeyRLKPJWFHMZVVKF-IJUHFESZSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
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 (5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one?
The IUPAC name of (5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one (CID 10465755) is (5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one.
What is the SMILES notation for (5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one?
The canonical SMILES for (5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one is CCCC/C=C/[C@@H]1OC(=O)CN(C)[C@H]1C.
What is the InChIKey of (5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one?
The InChIKey is RLKPJWFHMZVVKF-IJUHFESZSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-5-6-7-8-11-10(2)13(3)9-12(14)15-11/h7-8,10-11H,4-6,9H2,1-3H3/b8-7+/t10-,11-/m0/s1.
What are the key properties of (5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one?
(5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one has a molecular weight of 211.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-[(E)-hex-1-enyl]-4,5-dimethylmorpholin-2-one is sourced from PubChem (CID 10465755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).