5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one

C17H25NO2 — CID 66109178

IUPAC5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC(C)CC1NC(=O)CC1c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-11(2)9-16-15(10-17(19)18-16)13-5-7-14(8-6-13)20-12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3,(H,18,19)
InChIKeyXRAXRBZLZOOJIL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.49
Rot. Bonds5

About 5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one

5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (PubChem CID 66109178) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
PubChem CID66109178
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC(C)CC1NC(=O)CC1c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-11(2)9-16-15(10-17(19)18-16)13-5-7-14(8-6-13)20-12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3,(H,18,19)
InChIKeyXRAXRBZLZOOJIL-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The IUPAC name of 5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (CID 66109178) is 5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is CC(C)CC1NC(=O)CC1c1ccc(OC(C)C)cc1.
What is the InChIKey of 5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The InChIKey is XRAXRBZLZOOJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11(2)9-16-15(10-17(19)18-16)13-5-7-14(8-6-13)20-12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 66109178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).