3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one

C9H13NO — CID 45095845

IUPAC3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one
SMILESCC(C)=C1NC(=O)C(C)=C1C
InChIInChI=1S/C9H13NO/c1-5(2)8-6(3)7(4)9(11)10-8/h1-4H3,(H,10,11)
InChIKeyZNBJELXQJQARLW-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.75
Rot. Bonds

About 3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one

3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one (PubChem CID 45095845) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one.

Molecular Properties

Compound Name3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one
PubChem CID45095845
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one
SMILESCC(C)=C1NC(=O)C(C)=C1C
InChIInChI=1S/C9H13NO/c1-5(2)8-6(3)7(4)9(11)10-8/h1-4H3,(H,10,11)
InChIKeyZNBJELXQJQARLW-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one?
The IUPAC name of 3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one (CID 45095845) is 3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one.
What is the SMILES notation for 3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one?
The canonical SMILES for 3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one is CC(C)=C1NC(=O)C(C)=C1C.
What is the InChIKey of 3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one?
The InChIKey is ZNBJELXQJQARLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-5(2)8-6(3)7(4)9(11)10-8/h1-4H3,(H,10,11).
What are the key properties of 3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one?
3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-propan-2-ylidenepyrrol-2-one is sourced from PubChem (CID 45095845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).