(3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione

C15H21NO3 — CID 143575963

IUPAC(3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione
SMILESC=C[C@@H]1OC(=O)[C@](CC)(CC2C=CCCC2)NC1=O
InChIInChI=1S/C15H21NO3/c1-3-12-13(17)16-15(4-2,14(18)19-12)10-11-8-6-5-7-9-11/h3,6,8,11-12H,1,4-5,7,9-10H2,2H3,(H,16,17)/t11?,12-,15-/m0/s1
InChIKeyCNLBBCORQLMJQY-LBBQAWJBSA-N
MW263.34 g/mol
LogP2.11
Rot. Bonds4

About (3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione

(3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione (PubChem CID 143575963) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione
PubChem CID143575963
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione
SMILESC=C[C@@H]1OC(=O)[C@](CC)(CC2C=CCCC2)NC1=O
InChIInChI=1S/C15H21NO3/c1-3-12-13(17)16-15(4-2,14(18)19-12)10-11-8-6-5-7-9-11/h3,6,8,11-12H,1,4-5,7,9-10H2,2H3,(H,16,17)/t11?,12-,15-/m0/s1
InChIKeyCNLBBCORQLMJQY-LBBQAWJBSA-N
XLogP2.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[Cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione
CID 70952269
(3S,6S)-6-(2-chloroethyl)-3-[1-[(1S)-cyclohex-2-en-1-yl]ethyl]-3-methylmorpholine-2,5-dione
CID 143334115
(3S,6S)-6-(2-chloroethyl)-3-[[(1R)-cyclohex-2-en-1-yl]methyl]-3-methylmorpholine-2,5-dione
CID 143334119
3-(Cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione
CID 143895277
Ethyl 2-acetamido-2-cyclohex-2-en-1-ylpropanoate
CID 101649029
[1-(Tert-butylamino)-3-(4-methylcyclohex-3-en-1-yl)-1-oxobutan-2-yl] prop-2-enoate
CID 132518524

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione?
The IUPAC name of (3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione (CID 143575963) is (3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione.
What is the SMILES notation for (3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione?
The canonical SMILES for (3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione is C=C[C@@H]1OC(=O)[C@](CC)(CC2C=CCCC2)NC1=O.
What is the InChIKey of (3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione?
The InChIKey is CNLBBCORQLMJQY-LBBQAWJBSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-12-13(17)16-15(4-2,14(18)19-12)10-11-8-6-5-7-9-11/h3,6,8,11-12H,1,4-5,7,9-10H2,2H3,(H,16,17)/t11?,12-,15-/m0/s1.
What are the key properties of (3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione?
(3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione has a molecular weight of 263.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione is sourced from PubChem (CID 143575963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).