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

C13H17NO2 — CID 3112940

IUPAC4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC(C)Oc1ccc(C2CNC(=O)C2)cc1
InChIInChI=1S/C13H17NO2/c1-9(2)16-12-5-3-10(4-6-12)11-7-13(15)14-8-11/h3-6,9,11H,7-8H2,1-2H3,(H,14,15)
InChIKeyIQRQFDBETFFVOE-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.08
Rot. Bonds3

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

4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (PubChem CID 3112940) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
PubChem CID3112940
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC(C)Oc1ccc(C2CNC(=O)C2)cc1
InChIInChI=1S/C13H17NO2/c1-9(2)16-12-5-3-10(4-6-12)11-7-13(15)14-8-11/h3-6,9,11H,7-8H2,1-2H3,(H,14,15)
InChIKeyIQRQFDBETFFVOE-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-(1,6-dihydro-2H-indeno[5,4-b]furan-8-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (CID 3112940) is 4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is CC(C)Oc1ccc(C2CNC(=O)C2)cc1.
What is the InChIKey of 4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The InChIKey is IQRQFDBETFFVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)16-12-5-3-10(4-6-12)11-7-13(15)14-8-11/h3-6,9,11H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 3112940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).