3-[cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione

C14H21NO5 — CID 70952269

IUPAC3-[cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione
SMILESCC1(C(O)C2C=CCCC2)NC(=O)C(CCO)OC1=O
InChIInChI=1S/C14H21NO5/c1-14(11(17)9-5-3-2-4-6-9)13(19)20-10(7-8-16)12(18)15-14/h3,5,9-11,16-17H,2,4,6-8H2,1H3,(H,15,18)
InChIKeyMPKATTOCJRKZOF-UHFFFAOYSA-N
MW283.32 g/mol
LogP-0.11
Rot. Bonds4

About 3-[cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione

3-[cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione (PubChem CID 70952269) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-[cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione.

Molecular Properties

Compound Name3-[cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione
PubChem CID70952269
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name3-[cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione
SMILESCC1(C(O)C2C=CCCC2)NC(=O)C(CCO)OC1=O
InChIInChI=1S/C14H21NO5/c1-14(11(17)9-5-3-2-4-6-9)13(19)20-10(7-8-16)12(18)15-14/h3,5,9-11,16-17H,2,4,6-8H2,1H3,(H,15,18)
InChIKeyMPKATTOCJRKZOF-UHFFFAOYSA-N
XLogP-0.11
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
ethyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]-3-methyl-5-oxo-1H-pyrrole-2-carboxylate
CID 70898241
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
(6S)-1-[(R)-cyclohex-2-en-1-yl(hydroxy)methyl]-6-methyl-4-propyl-7-oxa-2-azabicyclo[4.2.0]octane-3,8-dione
CID 143558519
(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
3-(Cyclohex-2-en-1-ylmethyl)-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione
CID 143895277
(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-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione?
The IUPAC name of 3-[cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione (CID 70952269) is 3-[cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione.
What is the SMILES notation for 3-[cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione?
The canonical SMILES for 3-[cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione is CC1(C(O)C2C=CCCC2)NC(=O)C(CCO)OC1=O.
What is the InChIKey of 3-[cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione?
The InChIKey is MPKATTOCJRKZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-14(11(17)9-5-3-2-4-6-9)13(19)20-10(7-8-16)12(18)15-14/h3,5,9-11,16-17H,2,4,6-8H2,1H3,(H,15,18).
What are the key properties of 3-[cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione?
3-[cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione has a molecular weight of 283.32 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohex-2-en-1-yl(hydroxy)methyl]-6-(2-hydroxyethyl)-3-methylmorpholine-2,5-dione is sourced from PubChem (CID 70952269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).