3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one

C11H19NO — CID 121424149

IUPAC3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one
SMILESCCC1=NC(=O)C(CC(C)(C)C)C1
InChIInChI=1S/C11H19NO/c1-5-9-6-8(10(13)12-9)7-11(2,3)4/h8H,5-7H2,1-4H3
InChIKeyNEFYCZFORQWFRB-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.82
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one

3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one (PubChem CID 121424149) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one
PubChem CID121424149
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one
SMILESCCC1=NC(=O)C(CC(C)(C)C)C1
InChIInChI=1S/C11H19NO/c1-5-9-6-8(10(13)12-9)7-11(2,3)4/h8H,5-7H2,1-4H3
InChIKeyNEFYCZFORQWFRB-UHFFFAOYSA-N
XLogP2.82
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one (CID 121424149) is 3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one is CCC1=NC(=O)C(CC(C)(C)C)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one?
The InChIKey is NEFYCZFORQWFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-9-6-8(10(13)12-9)7-11(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one?
3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-5-ethyl-3,4-dihydropyrrol-2-one is sourced from PubChem (CID 121424149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).