4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine

C16H21NO3 — CID 40548294

IUPAC4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine
SMILESC(=C/[C@@H]1OC[C@@H](CN2CCOCC2)O1)\c1ccccc1
InChIInChI=1S/C16H21NO3/c1-2-4-14(5-3-1)6-7-16-19-13-15(20-16)12-17-8-10-18-11-9-17/h1-7,15-16H,8-13H2/b7-6+/t15-,16-/m1/s1
InChIKeyPBBQTZURHFLBNT-YCZSJOHXSA-N
MW275.35 g/mol
LogP1.77
Rot. Bonds4

About 4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine

4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine (PubChem CID 40548294) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine
PubChem CID40548294
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine
SMILESC(=C/[C@@H]1OC[C@@H](CN2CCOCC2)O1)\c1ccccc1
InChIInChI=1S/C16H21NO3/c1-2-4-14(5-3-1)6-7-16-19-13-15(20-16)12-17-8-10-18-11-9-17/h1-7,15-16H,8-13H2/b7-6+/t15-,16-/m1/s1
InChIKeyPBBQTZURHFLBNT-YCZSJOHXSA-N
XLogP1.77
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-(chloromethyl)-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 93475636
4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 6017272
3-[(E)-2-phenylethenyl]oxetane
CID 132578776
4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine
CID 90962291
4-[(E)-1-deuterio-2-phenylethenyl]morpholine
CID 100965293
(E)-N-(morpholin-4-ylmethyl)-1-phenylmethanimine
CID 15711828
4-[(2-ethoxy-1,3-dioxolan-4-yl)methyl]morpholine
CID 45094457
4-[[(2S,4S)-2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]morpholine
CID 803971
1-benzhydryl-4-[[(2R)-oxiran-2-yl]methyl]piperazine
CID 34180767
(2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane
CID 129392534
(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 170021549
5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 6043851

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine?
The IUPAC name of 4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine (CID 40548294) is 4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine is C(=C/[C@@H]1OC[C@@H](CN2CCOCC2)O1)\c1ccccc1.
What is the InChIKey of 4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine?
The InChIKey is PBBQTZURHFLBNT-YCZSJOHXSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-4-14(5-3-1)6-7-16-19-13-15(20-16)12-17-8-10-18-11-9-17/h1-7,15-16H,8-13H2/b7-6+/t15-,16-/m1/s1.
What are the key properties of 4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine?
4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine has a molecular weight of 275.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,4R)-2-[(E)-2-phenylethenyl]-1,3-dioxolan-4-yl]methyl]morpholine is sourced from PubChem (CID 40548294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).