3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine

C11H14BrNOS — CID 116685838

IUPAC3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine
SMILESCC1COCC(/C=C/c2ccc(Br)s2)N1
InChIInChI=1S/C11H14BrNOS/c1-8-6-14-7-9(13-8)2-3-10-4-5-11(12)15-10/h2-5,8-9,13H,6-7H2,1H3/b3-2+
InChIKeyIGNHCRYKIFWLPD-NSCUHMNNSA-N
MW288.21 g/mol
LogP2.90
Rot. Bonds2

About 3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine

3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine (PubChem CID 116685838) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine.

Molecular Properties

Compound Name3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine
PubChem CID116685838
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine
SMILESCC1COCC(/C=C/c2ccc(Br)s2)N1
InChIInChI=1S/C11H14BrNOS/c1-8-6-14-7-9(13-8)2-3-10-4-5-11(12)15-10/h2-5,8-9,13H,6-7H2,1H3/b3-2+
InChIKeyIGNHCRYKIFWLPD-NSCUHMNNSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine
CID 104703779
3-methyl-5-[(E)-2-naphthalen-2-ylethenyl]morpholine
CID 116685832
2-bromo-5-[(E)-but-1-enyl]thiophene
CID 58787087
4-[3-(5-bromothiophen-2-yl)prop-2-enoylamino]-3-methyloxolane-3-carboxylic acid
CID 77120007
3-(5-bromothiophen-2-yl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 78770488
(E)-3-(5-bromothiophen-2-yl)-1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]prop-2-en-1-one
CID 8949622
2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene
CID 82094488
(Z)-1-(azepan-1-yl)-3-(5-bromothiophen-2-yl)prop-2-en-1-one
CID 97305758
cyclopropane;methyl 3-(5-bromothiophen-2-yl)prop-2-enoate
CID 70627909
1-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102775201
(E)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 43236333
2-bromo-5-(2-nitroethenyl)thiophene
CID 54399398

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine?
The IUPAC name of 3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine (CID 116685838) is 3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine.
What is the SMILES notation for 3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine?
The canonical SMILES for 3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine is CC1COCC(/C=C/c2ccc(Br)s2)N1.
What is the InChIKey of 3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine?
The InChIKey is IGNHCRYKIFWLPD-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-8-6-14-7-9(13-8)2-3-10-4-5-11(12)15-10/h2-5,8-9,13H,6-7H2,1H3/b3-2+.
What are the key properties of 3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine?
3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine has a molecular weight of 288.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine is sourced from PubChem (CID 116685838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).