3-methyl-1-propan-2-yl-2H-pyrrol-5-one

C8H13NO — CID 14120553

IUPAC3-methyl-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC1=CC(=O)N(C(C)C)C1
InChIInChI=1S/C8H13NO/c1-6(2)9-5-7(3)4-8(9)10/h4,6H,5H2,1-3H3
InChIKeyHYNKGMHIKMQCJU-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds1

About 3-methyl-1-propan-2-yl-2H-pyrrol-5-one

3-methyl-1-propan-2-yl-2H-pyrrol-5-one (PubChem CID 14120553) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-2H-pyrrol-5-one
PubChem CID14120553
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-methyl-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC1=CC(=O)N(C(C)C)C1
InChIInChI=1S/C8H13NO/c1-6(2)9-5-7(3)4-8(9)10/h4,6H,5H2,1-3H3
InChIKeyHYNKGMHIKMQCJU-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-ethyl-2,4-dimethyl-2H-pyrrol-5-one
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1H-Pyrrole-2,5-dione, 3-methyl-1-(2-propenyl)-
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CID 12294826
1,3-dimethyl-2H-pyrrol-5-one
CID 12394645
1,4-dimethyl-2H-pyrrol-5-one
CID 12394646
(E)-2-methyl-1-pyrrolidin-1-ylbut-2-en-1-one
CID 13638427
3-Methyl-1-propylpyrrole-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-methyl-1-propan-2-yl-2H-pyrrol-5-one (CID 14120553) is 3-methyl-1-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-methyl-1-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-methyl-1-propan-2-yl-2H-pyrrol-5-one is CC1=CC(=O)N(C(C)C)C1.
What is the InChIKey of 3-methyl-1-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is HYNKGMHIKMQCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)9-5-7(3)4-8(9)10/h4,6H,5H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-2H-pyrrol-5-one?
3-methyl-1-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 139.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 14120553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).