3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one

C9H15NO2 — CID 130020219

IUPAC3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one
SMILESCCOC1=CC(=O)NC1C(C)C
InChIInChI=1S/C9H15NO2/c1-4-12-7-5-8(11)10-9(7)6(2)3/h5-6,9H,4H2,1-3H3,(H,10,11)
InChIKeyOAWQHTBTHZHICS-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.06
Rot. Bonds3

About 3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one

3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one (PubChem CID 130020219) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one
PubChem CID130020219
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one
SMILESCCOC1=CC(=O)NC1C(C)C
InChIInChI=1S/C9H15NO2/c1-4-12-7-5-8(11)10-9(7)6(2)3/h5-6,9H,4H2,1-3H3,(H,10,11)
InChIKeyOAWQHTBTHZHICS-UHFFFAOYSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one (CID 130020219) is 3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one is CCOC1=CC(=O)NC1C(C)C.
What is the InChIKey of 3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one?
The InChIKey is OAWQHTBTHZHICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-12-7-5-8(11)10-9(7)6(2)3/h5-6,9H,4H2,1-3H3,(H,10,11).
What are the key properties of 3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one?
3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one has a molecular weight of 169.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-propan-2-yl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 130020219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).