4-(4-prop-2-enylphenyl)morpholine

C13H17NO — CID 70631563

IUPAC4-(4-prop-2-enylphenyl)morpholine
SMILESC=CCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H17NO/c1-2-3-12-4-6-13(7-5-12)14-8-10-15-11-9-14/h2,4-7H,1,3,8-11H2
InChIKeyZTXHIAVQDCWEAU-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.25
Rot. Bonds3

About 4-(4-prop-2-enylphenyl)morpholine

4-(4-prop-2-enylphenyl)morpholine (PubChem CID 70631563) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-(4-prop-2-enylphenyl)morpholine.

Molecular Properties

Compound Name4-(4-prop-2-enylphenyl)morpholine
PubChem CID70631563
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-(4-prop-2-enylphenyl)morpholine
SMILESC=CCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H17NO/c1-2-3-12-4-6-13(7-5-12)14-8-10-15-11-9-14/h2,4-7H,1,3,8-11H2
InChIKeyZTXHIAVQDCWEAU-UHFFFAOYSA-N
XLogP2.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethylphenyl)morpholine
CID 20576442
(4-morpholin-4-ylphenyl)methanol
CID 2776456
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-(4-benzylphenyl)morpholine
CID 11514364
2-(4-morpholin-4-ylphenyl)ethanamine
CID 23009596
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
2-[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)phenyl]ethanamine
CID 170868542
2-methoxy-6-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-4-prop-2-enylphenol
CID 25342863
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
4-[4-(bromomethyl)phenyl]-1,4-oxazepane
CID 107082990
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine
CID 21292693

Frequently Asked Questions

What is the IUPAC name of 4-(4-prop-2-enylphenyl)morpholine?
The IUPAC name of 4-(4-prop-2-enylphenyl)morpholine (CID 70631563) is 4-(4-prop-2-enylphenyl)morpholine.
What is the SMILES notation for 4-(4-prop-2-enylphenyl)morpholine?
The canonical SMILES for 4-(4-prop-2-enylphenyl)morpholine is C=CCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-(4-prop-2-enylphenyl)morpholine?
The InChIKey is ZTXHIAVQDCWEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-12-4-6-13(7-5-12)14-8-10-15-11-9-14/h2,4-7H,1,3,8-11H2.
What are the key properties of 4-(4-prop-2-enylphenyl)morpholine?
4-(4-prop-2-enylphenyl)morpholine has a molecular weight of 203.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-prop-2-enylphenyl)morpholine is sourced from PubChem (CID 70631563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).