1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one

C16H19NO4 — CID 57170741

IUPAC1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one
SMILESO=C(C=CC1Oc2ccccc2O1)CCN1CCOCC1
InChIInChI=1S/C16H19NO4/c18-13(7-8-17-9-11-19-12-10-17)5-6-16-20-14-3-1-2-4-15(14)21-16/h1-6,16H,7-12H2
InChIKeyRGRHNMKGCMJXLF-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.63
Rot. Bonds5

About 1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one

1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one (PubChem CID 57170741) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one.

Molecular Properties

Compound Name1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one
PubChem CID57170741
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one
SMILESO=C(C=CC1Oc2ccccc2O1)CCN1CCOCC1
InChIInChI=1S/C16H19NO4/c18-13(7-8-17-9-11-19-12-10-17)5-6-16-20-14-3-1-2-4-15(14)21-16/h1-6,16H,7-12H2
InChIKeyRGRHNMKGCMJXLF-UHFFFAOYSA-N
XLogP1.63
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one
CID 12842145
1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
CID 70518223
1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
CID 70534836
N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-morpholin-4-ylpropanamide
CID 749508
(E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one
CID 12842153
phenyl 3-morpholin-4-ylpropanoate
CID 12036172
(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride
CID 6518597
3-MORPHOLIN-4-YL-N-PHENYL-PROPIONAMIDE HYDROCHLORIDE
CID 156595356
(E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one
CID 5386799
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
CID 73242622
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one?
The IUPAC name of 1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one (CID 57170741) is 1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one.
What is the SMILES notation for 1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one?
The canonical SMILES for 1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one is O=C(C=CC1Oc2ccccc2O1)CCN1CCOCC1.
What is the InChIKey of 1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one?
The InChIKey is RGRHNMKGCMJXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-13(7-8-17-9-11-19-12-10-17)5-6-16-20-14-3-1-2-4-15(14)21-16/h1-6,16H,7-12H2.
What are the key properties of 1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one?
1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one has a molecular weight of 289.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one is sourced from PubChem (CID 57170741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).