1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

C24H27NO4 — CID 108660258

IUPAC1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCCC2)o1
InChIInChI=1S/C24H27NO4/c1-16-12-15-20(29-16)22-21(19(26)14-13-17-8-4-2-5-9-17)23(27)24(28)25(22)18-10-6-3-7-11-18/h2,4-5,8-9,12,15,18,22,27H,3,6-7,10-11,13-14H2,1H3
InChIKeyRBDPWPJJOAJQQS-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.82
Rot. Bonds6

About 1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (PubChem CID 108660258) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
PubChem CID108660258
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCCC2)o1
InChIInChI=1S/C24H27NO4/c1-16-12-15-20(29-16)22-21(19(26)14-13-17-8-4-2-5-9-17)23(27)24(28)25(22)18-10-6-3-7-11-18/h2,4-5,8-9,12,15,18,22,27H,3,6-7,10-11,13-14H2,1H3
InChIKeyRBDPWPJJOAJQQS-UHFFFAOYSA-N
XLogP4.82
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631115
3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108660259
1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
CID 71336730
(4Z)-1-cyclohexyl-4-[hydroxy-(4-methylphenyl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 108660226
2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108685584
2-O-benzyl 3-O-ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-2,3-dicarboxylate
CID 54733301
(2R)-1-benzyl-4-hydroxy-2-(4-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 981020
1-cyclopentyl-2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108657057
2-(4-butoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-1-propyl-2H-pyrrol-5-one
CID 108636288
1-cyclohexyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108627577
4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634217
1-cyclopentyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 108640911

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (CID 108660258) is 1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is Cc1ccc(C2C(C(=O)CCc3ccccc3)=C(O)C(=O)N2C2CCCCC2)o1.
What is the InChIKey of 1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is RBDPWPJJOAJQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-16-12-15-20(29-16)22-21(19(26)14-13-17-8-4-2-5-9-17)23(27)24(28)25(22)18-10-6-3-7-11-18/h2,4-5,8-9,12,15,18,22,27H,3,6-7,10-11,13-14H2,1H3.
What are the key properties of 1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 393.48 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108660258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).