(6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one

C14H21NO2 — CID 118014762

IUPAC(6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one
SMILESC=CC[C@]1(C)CCC=C(N2CCOCC2)C1=O
InChIInChI=1S/C14H21NO2/c1-3-6-14(2)7-4-5-12(13(14)16)15-8-10-17-11-9-15/h3,5H,1,4,6-11H2,2H3/t14-/m1/s1
InChIKeyYTMRTSLFEOGPFA-CQSZACIVSA-N
MW235.33 g/mol
LogP2.15
Rot. Bonds3

About (6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one

(6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one (PubChem CID 118014762) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one
PubChem CID118014762
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one
SMILESC=CC[C@]1(C)CCC=C(N2CCOCC2)C1=O
InChIInChI=1S/C14H21NO2/c1-3-6-14(2)7-4-5-12(13(14)16)15-8-10-17-11-9-15/h3,5H,1,4,6-11H2,2H3/t14-/m1/s1
InChIKeyYTMRTSLFEOGPFA-CQSZACIVSA-N
XLogP2.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one?
The IUPAC name of (6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one (CID 118014762) is (6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one.
What is the SMILES notation for (6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one?
The canonical SMILES for (6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one is C=CC[C@]1(C)CCC=C(N2CCOCC2)C1=O.
What is the InChIKey of (6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one?
The InChIKey is YTMRTSLFEOGPFA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-6-14(2)7-4-5-12(13(14)16)15-8-10-17-11-9-15/h3,5H,1,4,6-11H2,2H3/t14-/m1/s1.
What are the key properties of (6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one?
(6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-2-morpholin-4-yl-6-prop-2-enylcyclohex-2-en-1-one is sourced from PubChem (CID 118014762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).