4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one

C19H24N2O3 — CID 72862539

IUPAC4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one
SMILESCC1(C2CC2)CC(=O)N(CC(=O)N2CC(Oc3ccccc3)C2)C1
InChIInChI=1S/C19H24N2O3/c1-19(14-7-8-14)9-17(22)21(13-19)12-18(23)20-10-16(11-20)24-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3
InChIKeyOVRPOWXKIDDSAK-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.92
Rot. Bonds5

About 4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one

4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one (PubChem CID 72862539) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one
PubChem CID72862539
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one
SMILESCC1(C2CC2)CC(=O)N(CC(=O)N2CC(Oc3ccccc3)C2)C1
InChIInChI=1S/C19H24N2O3/c1-19(14-7-8-14)9-17(22)21(13-19)12-18(23)20-10-16(11-20)24-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3
InChIKeyOVRPOWXKIDDSAK-UHFFFAOYSA-N
XLogP1.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one
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2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone
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2-(4-ethylpiperazin-1-yl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone
CID 110159734
3-(2-methylpropyl)-1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]piperazin-2-one
CID 172611708
2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 70750140
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
4-(azepan-1-yl)-1-(3-phenoxyazetidin-1-yl)butan-1-one
CID 90652343
(4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97274809
1-[4-(3-phenoxypyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 118782186
1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 126441920

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one (CID 72862539) is 4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one is CC1(C2CC2)CC(=O)N(CC(=O)N2CC(Oc3ccccc3)C2)C1.
What is the InChIKey of 4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one?
The InChIKey is OVRPOWXKIDDSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(14-7-8-14)9-17(22)21(13-19)12-18(23)20-10-16(11-20)24-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3.
What are the key properties of 4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one?
4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one has a molecular weight of 328.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-methyl-1-[2-oxo-2-(3-phenoxyazetidin-1-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 72862539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).