3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one

C10H17NO — CID 10678662

IUPAC3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one
SMILESCCCC1=C(CC)C(C)NC1=O
InChIInChI=1S/C10H17NO/c1-4-6-9-8(5-2)7(3)11-10(9)12/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyDDLYGJGNKARHOK-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.01
Rot. Bonds3

About 3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one

3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one (PubChem CID 10678662) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one
PubChem CID10678662
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one
SMILESCCCC1=C(CC)C(C)NC1=O
InChIInChI=1S/C10H17NO/c1-4-6-9-8(5-2)7(3)11-10(9)12/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyDDLYGJGNKARHOK-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one (CID 10678662) is 3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one is CCCC1=C(CC)C(C)NC1=O.
What is the InChIKey of 3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one?
The InChIKey is DDLYGJGNKARHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-9-8(5-2)7(3)11-10(9)12/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one?
3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one has a molecular weight of 167.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-4-propyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 10678662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).