4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium

C14H24NO3+ — CID 7106458

IUPAC4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium
SMILESC1=CC[C@@H]([C@H]2OC[C@H](C[NH+]3CCOCC3)O2)CC1
InChIInChI=1S/C14H23NO3/c1-2-4-12(5-3-1)14-17-11-13(18-14)10-15-6-8-16-9-7-15/h1-2,12-14H,3-11H2/p+1/t12-,13+,14+/m1/s1
InChIKeyAAPOJYKIJJMKDM-RDBSUJKOSA-O
MW254.35 g/mol
LogP-0.00
Rot. Bonds3

About 4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium

4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium (PubChem CID 7106458) has the molecular formula C14H24NO3+ and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium
PubChem CID7106458
Molecular FormulaC14H24NO3+
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium
SMILESC1=CC[C@@H]([C@H]2OC[C@H](C[NH+]3CCOCC3)O2)CC1
InChIInChI=1S/C14H23NO3/c1-2-4-12(5-3-1)14-17-11-13(18-14)10-15-6-8-16-9-7-15/h1-2,12-14H,3-11H2/p+1/t12-,13+,14+/m1/s1
InChIKeyAAPOJYKIJJMKDM-RDBSUJKOSA-O
XLogP-0.00
TPSA32.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium with MolForge

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Related Compounds

4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium
CID 6993792
4-(2-chloroethoxymethyl)-2-cyclohex-3-en-1-yl-1,3-dioxolane
CID 15716614
1-[[(2R,4R)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]-1-methylpiperidin-1-ium
CID 99736881
(2-cyclopropyl-1,3-dioxolan-4-yl)methanol
CID 115094726
2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid
CID 117168464
4-(chloromethyl)-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 13435636
5-butan-2-yl-2-cyclohex-3-en-1-yl-5-methyl-1,3-dioxane
CID 19803377
4-cyclopentylcyclohexene
CID 524571
(4aR,9aS)-3,4,4a,5,8,9a-hexahydro-2H-pyrano[2,3-b]oxepine
CID 23658888
2-cyclohex-3-en-1-yloxirane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 159773802
1-[[(2R,4S)-2-[(1R)-1-phenylethyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium
CID 6935776
4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium-1-carbaldehyde
CID 6962923

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium?
The IUPAC name of 4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium (CID 7106458) is 4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium.
What is the SMILES notation for 4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium?
The canonical SMILES for 4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium is C1=CC[C@@H]([C@H]2OC[C@H](C[NH+]3CCOCC3)O2)CC1.
What is the InChIKey of 4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium?
The InChIKey is AAPOJYKIJJMKDM-RDBSUJKOSA-O. The full InChI is InChI=1S/C14H23NO3/c1-2-4-12(5-3-1)14-17-11-13(18-14)10-15-6-8-16-9-7-15/h1-2,12-14H,3-11H2/p+1/t12-,13+,14+/m1/s1.
What are the key properties of 4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium?
4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium has a molecular weight of 254.35 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,4S)-2-[(1S)-cyclohex-3-en-1-yl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium is sourced from PubChem (CID 7106458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).