4,5-di(propan-2-yl)pyrrol-2-one

C10H15NO — CID 89447106

IUPAC4,5-di(propan-2-yl)pyrrol-2-one
SMILESCC(C)C1=CC(=O)N=C1C(C)C
InChIInChI=1S/C10H15NO/c1-6(2)8-5-9(12)11-10(8)7(3)4/h5-7H,1-4H3
InChIKeyRDWGGZOMFRHXPL-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.21
Rot. Bonds2

About 4,5-di(propan-2-yl)pyrrol-2-one

4,5-di(propan-2-yl)pyrrol-2-one (PubChem CID 89447106) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)pyrrol-2-one.

Molecular Properties

Compound Name4,5-di(propan-2-yl)pyrrol-2-one
PubChem CID89447106
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4,5-di(propan-2-yl)pyrrol-2-one
SMILESCC(C)C1=CC(=O)N=C1C(C)C
InChIInChI=1S/C10H15NO/c1-6(2)8-5-9(12)11-10(8)7(3)4/h5-7H,1-4H3
InChIKeyRDWGGZOMFRHXPL-UHFFFAOYSA-N
XLogP2.21
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)pyrrol-2-one?
The IUPAC name of 4,5-di(propan-2-yl)pyrrol-2-one (CID 89447106) is 4,5-di(propan-2-yl)pyrrol-2-one.
What is the SMILES notation for 4,5-di(propan-2-yl)pyrrol-2-one?
The canonical SMILES for 4,5-di(propan-2-yl)pyrrol-2-one is CC(C)C1=CC(=O)N=C1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)pyrrol-2-one?
The InChIKey is RDWGGZOMFRHXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-6(2)8-5-9(12)11-10(8)7(3)4/h5-7H,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)pyrrol-2-one?
4,5-di(propan-2-yl)pyrrol-2-one has a molecular weight of 165.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)pyrrol-2-one is sourced from PubChem (CID 89447106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).