ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine

C16H25NO — CID 143719420

IUPACethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine
SMILESCC.Cc1ccc(/C=C/CN2CCOCC2)cc1
InChIInChI=1S/C14H19NO.C2H6/c1-13-4-6-14(7-5-13)3-2-8-15-9-11-16-12-10-15;1-2/h2-7H,8-12H2,1H3;1-2H3/b3-2+;
InChIKeyNUJBPEZMFKUBFA-SQQVDAMQSA-N
MW247.38 g/mol
LogP3.37
Rot. Bonds3

About ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine

ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine (PubChem CID 143719420) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine.

Molecular Properties

Compound Nameethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine
PubChem CID143719420
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nameethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine
SMILESCC.Cc1ccc(/C=C/CN2CCOCC2)cc1
InChIInChI=1S/C14H19NO.C2H6/c1-13-4-6-14(7-5-13)3-2-8-15-9-11-16-12-10-15;1-2/h2-7H,8-12H2,1H3;1-2H3/b3-2+;
InChIKeyNUJBPEZMFKUBFA-SQQVDAMQSA-N
XLogP3.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 121451952
N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 30981297
4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine
CID 164673258
1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine
CID 66694812
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CID 140981974
4-[4-(3-bromoprop-1-enyl)phenyl]morpholine
CID 169476236
4-[(E)-but-2-enyl]morpholine
CID 10909666
4-(6-morpholin-4-ylhexa-2,4-dienyl)morpholine
CID 53425931
1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea
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CID 118035457
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
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CID 90770914

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine?
The IUPAC name of ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine (CID 143719420) is ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine.
What is the SMILES notation for ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine?
The canonical SMILES for ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine is CC.Cc1ccc(/C=C/CN2CCOCC2)cc1.
What is the InChIKey of ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine?
The InChIKey is NUJBPEZMFKUBFA-SQQVDAMQSA-N. The full InChI is InChI=1S/C14H19NO.C2H6/c1-13-4-6-14(7-5-13)3-2-8-15-9-11-16-12-10-15;1-2/h2-7H,8-12H2,1H3;1-2H3/b3-2+;.
What are the key properties of ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine?
ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine has a molecular weight of 247.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine is sourced from PubChem (CID 143719420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).