1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone

C15H19NO2 — CID 11507029

IUPAC1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone
SMILESC=C(CN1CCOCC1)c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H19NO2/c1-12(11-16-7-9-18-10-8-16)14-3-5-15(6-4-14)13(2)17/h3-6H,1,7-11H2,2H3
InChIKeyBTGYENCHCMGRHC-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.23
Rot. Bonds4

About 1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone

1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone (PubChem CID 11507029) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone
PubChem CID11507029
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone
SMILESC=C(CN1CCOCC1)c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H19NO2/c1-12(11-16-7-9-18-10-8-16)14-3-5-15(6-4-14)13(2)17/h3-6H,1,7-11H2,2H3
InChIKeyBTGYENCHCMGRHC-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone
CID 82165517
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
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1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
N'-[1-(4-tert-butylphenyl)ethenyl]-2-morpholin-4-ylacetohydrazide
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2-morpholin-4-yl-1-(4-propylphenyl)ethanone
CID 43219458
1-(1-methylpyrrol-3-yl)-2-morpholin-4-ylethanone
CID 43227706
1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride
CID 24747690
1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone
CID 21135766
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide
CID 175091863
1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 783727

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone (CID 11507029) is 1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone is C=C(CN1CCOCC1)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone?
The InChIKey is BTGYENCHCMGRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12(11-16-7-9-18-10-8-16)14-3-5-15(6-4-14)13(2)17/h3-6H,1,7-11H2,2H3.
What are the key properties of 1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone?
1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone has a molecular weight of 245.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone is sourced from PubChem (CID 11507029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).