2-butyl-1-methyl-2H-pyrrol-5-one

C9H15NO — CID 171490717

IUPAC2-butyl-1-methyl-2H-pyrrol-5-one
SMILESCCCCC1C=CC(=O)N1C
InChIInChI=1S/C9H15NO/c1-3-4-5-8-6-7-9(11)10(8)2/h6-8H,3-5H2,1-2H3
InChIKeyTTXPLYDBDNCRMP-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.57
Rot. Bonds3

About 2-butyl-1-methyl-2H-pyrrol-5-one

2-butyl-1-methyl-2H-pyrrol-5-one (PubChem CID 171490717) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-butyl-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-butyl-1-methyl-2H-pyrrol-5-one
PubChem CID171490717
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-butyl-1-methyl-2H-pyrrol-5-one
SMILESCCCCC1C=CC(=O)N1C
InChIInChI=1S/C9H15NO/c1-3-4-5-8-6-7-9(11)10(8)2/h6-8H,3-5H2,1-2H3
InChIKeyTTXPLYDBDNCRMP-UHFFFAOYSA-N
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5,6,7,8-Tetrahydropyrrolizin-3-one
CID 16747700
CID 71311881
CID 71311881
2-methyl-6,7,8,8a-tetrahydro-3(5H)-indolizinone
CID 13331588
2,5-dimethyl-6,7,8,8a-tetrahydro-5H-indolizin-3-one
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1-Cyclohexyl-1,5-dihydro-2H-pyrrol-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 2-butyl-1-methyl-2H-pyrrol-5-one (CID 171490717) is 2-butyl-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-butyl-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 2-butyl-1-methyl-2H-pyrrol-5-one is CCCCC1C=CC(=O)N1C.
What is the InChIKey of 2-butyl-1-methyl-2H-pyrrol-5-one?
The InChIKey is TTXPLYDBDNCRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-5-8-6-7-9(11)10(8)2/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-butyl-1-methyl-2H-pyrrol-5-one?
2-butyl-1-methyl-2H-pyrrol-5-one has a molecular weight of 153.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 171490717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).