4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one

C9H15NO — CID 86044242

IUPAC4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one
SMILESCCC1=C(C(C)C)CNC1=O
InChIInChI=1S/C9H15NO/c1-4-7-8(6(2)3)5-10-9(7)11/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyHGUUMPRTGQUGDU-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds2

About 4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one

4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one (PubChem CID 86044242) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one
PubChem CID86044242
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one
SMILESCCC1=C(C(C)C)CNC1=O
InChIInChI=1S/C9H15NO/c1-4-7-8(6(2)3)5-10-9(7)11/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyHGUUMPRTGQUGDU-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one (CID 86044242) is 4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one is CCC1=C(C(C)C)CNC1=O.
What is the InChIKey of 4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one?
The InChIKey is HGUUMPRTGQUGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-7-8(6(2)3)5-10-9(7)11/h6H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one?
4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one has a molecular weight of 153.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-propan-2-yl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 86044242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).