1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one

C11H16N2O2 — CID 177144734

IUPAC1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1C(CN)C(=O)C(C)C
InChIInChI=1S/C11H16N2O2/c1-7(2)11(15)9(6-12)13-8(3)4-5-10(13)14/h4-5,7,9H,3,6,12H2,1-2H3
InChIKeyNQOOQAYVGWSKAU-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.45
Rot. Bonds4

About 1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one

1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one (PubChem CID 177144734) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one
PubChem CID177144734
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1C(CN)C(=O)C(C)C
InChIInChI=1S/C11H16N2O2/c1-7(2)11(15)9(6-12)13-8(3)4-5-10(13)14/h4-5,7,9H,3,6,12H2,1-2H3
InChIKeyNQOOQAYVGWSKAU-UHFFFAOYSA-N
XLogP0.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one?
The IUPAC name of 1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one (CID 177144734) is 1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one.
What is the SMILES notation for 1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one?
The canonical SMILES for 1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one is C=C1C=CC(=O)N1C(CN)C(=O)C(C)C.
What is the InChIKey of 1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one?
The InChIKey is NQOOQAYVGWSKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)11(15)9(6-12)13-8(3)4-5-10(13)14/h4-5,7,9H,3,6,12H2,1-2H3.
What are the key properties of 1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one?
1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-4-methyl-3-oxopentan-2-yl)-5-methylidenepyrrol-2-one is sourced from PubChem (CID 177144734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).