4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one

C28H32N2O5 — CID 6190048

IUPAC4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(C2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C28H32N2O5/c1-2-17-35-23-10-6-9-22(20-23)26-25(24(31)12-11-21-7-4-3-5-8-21)27(32)28(33)30(26)14-13-29-15-18-34-19-16-29/h3-12,20,26,32H,2,13-19H2,1H3/b12-11+
InChIKeyMALONMYTWULTLT-VAWYXSNFSA-N
MW476.57 g/mol
LogP3.79
Rot. Bonds10

About 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one

4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 6190048) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one
PubChem CID6190048
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC Name4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(C2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C28H32N2O5/c1-2-17-35-23-10-6-9-22(20-23)26-25(24(31)12-11-21-7-4-3-5-8-21)27(32)28(33)30(26)14-13-29-15-18-34-19-16-29/h3-12,20,26,32H,2,13-19H2,1H3/b12-11+
InChIKeyMALONMYTWULTLT-VAWYXSNFSA-N
XLogP3.79
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 6190052
4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-phenylmethoxyphenyl)-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 4697259
1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(3-phenylprop-2-enoyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 4697225
3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 71962865
1-[3-(diethylamino)propyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 6190313
4-hydroxy-2-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 6190016
2-(4-ethoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 5196072
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(3-pentoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 6189825
(2R)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 28716696
4-hydroxy-1-(2-methoxyethyl)-3-(3-phenylprop-2-enoyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 4697111
(2R)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 28718738
2-(3-butoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 3421301

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one (CID 6190048) is 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1cccc(C2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2CCN2CCOCC2)c1.
What is the InChIKey of 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is MALONMYTWULTLT-VAWYXSNFSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-2-17-35-23-10-6-9-22(20-23)26-25(24(31)12-11-21-7-4-3-5-8-21)27(32)28(33)30(26)14-13-29-15-18-34-19-16-29/h3-12,20,26,32H,2,13-19H2,1H3/b12-11+.
What are the key properties of 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one?
4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 476.57 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 6190048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).