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

C8H13NO — CID 55299700

IUPAC3-methyl-4-propyl-1,2-dihydropyrrol-5-one
SMILESCCCC1=C(C)CNC1=O
InChIInChI=1S/C8H13NO/c1-3-4-7-6(2)5-9-8(7)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyYXUXYVQZWARXQN-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds2

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

3-methyl-4-propyl-1,2-dihydropyrrol-5-one (PubChem CID 55299700) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-methyl-4-propyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-methyl-4-propyl-1,2-dihydropyrrol-5-one
PubChem CID55299700
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-methyl-4-propyl-1,2-dihydropyrrol-5-one
SMILESCCCC1=C(C)CNC1=O
InChIInChI=1S/C8H13NO/c1-3-4-7-6(2)5-9-8(7)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyYXUXYVQZWARXQN-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-methyl-4-propyl-1,2-dihydropyrrol-5-one (CID 55299700) is 3-methyl-4-propyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-methyl-4-propyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-methyl-4-propyl-1,2-dihydropyrrol-5-one is CCCC1=C(C)CNC1=O.
What is the InChIKey of 3-methyl-4-propyl-1,2-dihydropyrrol-5-one?
The InChIKey is YXUXYVQZWARXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-7-6(2)5-9-8(7)10/h3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-methyl-4-propyl-1,2-dihydropyrrol-5-one?
3-methyl-4-propyl-1,2-dihydropyrrol-5-one has a molecular weight of 139.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 55299700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).