3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one

C22H28N2O4 — CID 75792763

IUPAC3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
SMILESCCOc1cccc(C2C(C(=O)C3CC3)=C(O)C(=O)N2CCN2CCCC2)c1
InChIInChI=1S/C22H28N2O4/c1-2-28-17-7-5-6-16(14-17)19-18(20(25)15-8-9-15)21(26)22(27)24(19)13-12-23-10-3-4-11-23/h5-7,14-15,19,26H,2-4,8-13H2,1H3
InChIKeyNVAXJQMYEKMXKP-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.86
Rot. Bonds8

About 3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one

3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (PubChem CID 75792763) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
PubChem CID75792763
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
SMILESCCOc1cccc(C2C(C(=O)C3CC3)=C(O)C(=O)N2CCN2CCCC2)c1
InChIInChI=1S/C22H28N2O4/c1-2-28-17-7-5-6-16(14-17)19-18(20(25)15-8-9-15)21(26)22(27)24(19)13-12-23-10-3-4-11-23/h5-7,14-15,19,26H,2-4,8-13H2,1H3
InChIKeyNVAXJQMYEKMXKP-UHFFFAOYSA-N
XLogP2.86
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropanecarbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792761
3-acetyl-4-hydroxy-2-(3-propan-2-yloxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792613
(2R)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1084880
3-(cyclopropanecarbonyl)-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792757
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793372
3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 568033
(2S)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 1255776
1-cyclopentyl-2-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108636935
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-prop-2-enoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 110276607
2-(3-butoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 3421301
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-propan-2-yloxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75795506
2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793248

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (CID 75792763) is 3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one is CCOc1cccc(C2C(C(=O)C3CC3)=C(O)C(=O)N2CCN2CCCC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
The InChIKey is NVAXJQMYEKMXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-2-28-17-7-5-6-16(14-17)19-18(20(25)15-8-9-15)21(26)22(27)24(19)13-12-23-10-3-4-11-23/h5-7,14-15,19,26H,2-4,8-13H2,1H3.
What are the key properties of 3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one has a molecular weight of 384.48 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 75792763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).