3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione

C14H21NO4 — CID 143895277

IUPAC3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione
SMILESCC1(CC2C=CCCC2)NC(=O)C(CCO)OC1=O
InChIInChI=1S/C14H21NO4/c1-14(9-10-5-3-2-4-6-10)13(18)19-11(7-8-16)12(17)15-14/h3,5,10-11,16H,2,4,6-9H2,1H3,(H,15,17)
InChIKeySAQXXXOHSVZXOG-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.92
Rot. Bonds4

About 3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione

3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione (PubChem CID 143895277) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione.

Molecular Properties

Compound Name3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione
PubChem CID143895277
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione
SMILESCC1(CC2C=CCCC2)NC(=O)C(CCO)OC1=O
InChIInChI=1S/C14H21NO4/c1-14(9-10-5-3-2-4-6-10)13(18)19-11(7-8-16)12(17)15-14/h3,5,10-11,16H,2,4,6-9H2,1H3,(H,15,17)
InChIKeySAQXXXOHSVZXOG-UHFFFAOYSA-N
XLogP0.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-chloroethyl)-3-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-ethylmorpholine-2,5-dione
CID 70319246
3-[Cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione
CID 70952269
N-[(3R)-3-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-2,2-dimethyl-4-oxooxetan-3-yl]-4-hydroxybutanamide
CID 88267493
(3R,6S)-6-(2-chloroethyl)-3-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-3-ethylmorpholine-2,5-dione
CID 89203481
(3S,6S)-6-(2-chloroethyl)-3-[[(1R)-cyclohex-2-en-1-yl]methyl]-3-methylmorpholine-2,5-dione
CID 143334119
(2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one;methanol
CID 143558559
(3S,6S)-3-(cyclohex-2-en-1-ylmethyl)-6-ethenyl-3-ethylmorpholine-2,5-dione
CID 143575963
(2S,5R)-5-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one
CID 145482378
N-[(2R,3R)-3-[[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-2-methyl-4-oxooxetan-3-yl]butanamide
CID 155171278
N-[(2R,3R)-3-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-2-methyl-4-oxooxetan-3-yl]propanamide
CID 173940671
(2S,5S)-5-[[(1R)-cyclohex-2-en-1-yl]methyl]-5-ethyl-2-(2-hydroxyethyl)morpholin-3-one
CID 143558560

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione?
The IUPAC name of 3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione (CID 143895277) is 3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione.
What is the SMILES notation for 3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione?
The canonical SMILES for 3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione is CC1(CC2C=CCCC2)NC(=O)C(CCO)OC1=O.
What is the InChIKey of 3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione?
The InChIKey is SAQXXXOHSVZXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(9-10-5-3-2-4-6-10)13(18)19-11(7-8-16)12(17)15-14/h3,5,10-11,16H,2,4,6-9H2,1H3,(H,15,17).
What are the key properties of 3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione?
3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione has a molecular weight of 267.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione is sourced from PubChem (CID 143895277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).