1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one

C9H13NO — CID 118410127

IUPAC1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one
SMILESC=C1C=C(C(C)C)C(=O)N1C
InChIInChI=1S/C9H13NO/c1-6(2)8-5-7(3)10(4)9(8)11/h5-6H,3H2,1-2,4H3
InChIKeyLYMFVSLBTFUMLB-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.55
Rot. Bonds1

About 1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one

1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one (PubChem CID 118410127) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one.

Molecular Properties

Compound Name1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one
PubChem CID118410127
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one
SMILESC=C1C=C(C(C)C)C(=O)N1C
InChIInChI=1S/C9H13NO/c1-6(2)8-5-7(3)10(4)9(8)11/h5-6H,3H2,1-2,4H3
InChIKeyLYMFVSLBTFUMLB-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one?
The IUPAC name of 1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one (CID 118410127) is 1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one.
What is the SMILES notation for 1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one?
The canonical SMILES for 1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one is C=C1C=C(C(C)C)C(=O)N1C.
What is the InChIKey of 1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one?
The InChIKey is LYMFVSLBTFUMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6(2)8-5-7(3)10(4)9(8)11/h5-6H,3H2,1-2,4H3.
What are the key properties of 1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one?
1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one is sourced from PubChem (CID 118410127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).