1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one

C20H28N2O3 — CID 143093968

IUPAC1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one
SMILESC/C=C(\CC)OCc1cc(N2CCCC2=O)ccc1N1CCOCC1
InChIInChI=1S/C20H28N2O3/c1-3-18(4-2)25-15-16-14-17(22-9-5-6-20(22)23)7-8-19(16)21-10-12-24-13-11-21/h3,7-8,14H,4-6,9-13,15H2,1-2H3/b18-3+
InChIKeyVQCHHIMASVPMBV-JFQJCAQQSA-N
MW344.46 g/mol
LogP3.48
Rot. Bonds6

About 1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one

1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one (PubChem CID 143093968) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one
PubChem CID143093968
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one
SMILESC/C=C(\CC)OCc1cc(N2CCCC2=O)ccc1N1CCOCC1
InChIInChI=1S/C20H28N2O3/c1-3-18(4-2)25-15-16-14-17(22-9-5-6-20(22)23)7-8-19(16)21-10-12-24-13-11-21/h3,7-8,14H,4-6,9-13,15H2,1-2H3/b18-3+
InChIKeyVQCHHIMASVPMBV-JFQJCAQQSA-N
XLogP3.48
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]pyrrolidin-2-one
CID 59165535
4-heptyl-3-[methyl-[2-(methylamino)ethyl]amino]benzaldehyde;2-methylbuta-1,3-diene;1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one
CID 143093967
ethane;1-[3-[(3-fluoro-4-methylphenoxy)methyl]-4-morpholin-4-ylphenyl]pyrrolidin-2-one
CID 143410224
1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 102501069
1-cyclohexyl-2-[2-fluoro-4-[[2-morpholin-4-yl-5-(2-oxopiperidin-1-yl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 16729588
1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-morpholin-4-yl-2,3-dihydropyridin-6-one
CID 118086872
17-cyclohexyl-13-[[2-morpholin-4-yl-5-(2-oxopyrrolidin-1-yl)phenyl]methoxy]-9-oxa-3-thia-5-azatetracyclo[9.6.0.02,7.012,16]heptadeca-1(17),2(7),4,10,13,15-hexaene-4-carboxylic acid
CID 87449364
(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 46689489
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide
CID 48987924
(2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
CID 25408427
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790

Frequently Asked Questions

What is the IUPAC name of 1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one (CID 143093968) is 1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one is C/C=C(\CC)OCc1cc(N2CCCC2=O)ccc1N1CCOCC1.
What is the InChIKey of 1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one?
The InChIKey is VQCHHIMASVPMBV-JFQJCAQQSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-3-18(4-2)25-15-16-14-17(22-9-5-6-20(22)23)7-8-19(16)21-10-12-24-13-11-21/h3,7-8,14H,4-6,9-13,15H2,1-2H3/b18-3+.
What are the key properties of 1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one?
1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one has a molecular weight of 344.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-morpholin-4-yl-3-[[(E)-pent-2-en-3-yl]oxymethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 143093968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).