N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide

C8H10N2O2 — CID 91000242

IUPACN-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide
SMILESC=C1C=CC(=O)N1CC(=O)NC
InChIInChI=1S/C8H10N2O2/c1-6-3-4-8(12)10(6)5-7(11)9-2/h3-4H,1,5H2,2H3,(H,9,11)
InChIKeyXUASWIVGIYEVSB-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.36
Rot. Bonds2

About N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide

N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide (PubChem CID 91000242) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide
PubChem CID91000242
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC NameN-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide
SMILESC=C1C=CC(=O)N1CC(=O)NC
InChIInChI=1S/C8H10N2O2/c1-6-3-4-8(12)10(6)5-7(11)9-2/h3-4H,1,5H2,2H3,(H,9,11)
InChIKeyXUASWIVGIYEVSB-UHFFFAOYSA-N
XLogP-0.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide
CID 91129259
N-(2,2-dimethylpropyl)-3-[4-[2-(2,5-dioxopyrrol-1-yl)acetyl]piperazin-1-yl]-3-oxopropanamide;N-(2,2-dimethylpropyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide;methane
CID 161295560
(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,3-dimethylbutanamide
CID 164902005
1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one
CID 167684364
2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide
CID 166990918
3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide
CID 71127231
1-(2-oxopropyl)pyrrole-2,5-dione
CID 20692341
N-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide
CID 91096275
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methylacetamide
CID 98090949
methane;1-(2-oxopropyl)pyrrole-2,5-dione
CID 158929127
1-[4-(2,5-dimethylidenepyrrol-1-yl)butyl]-5-methylidenepyrrol-2-one
CID 146510260
2-[(3aR,7aS)-5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-methylacetamide
CID 7258824

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide?
The IUPAC name of N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide (CID 91000242) is N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide is C=C1C=CC(=O)N1CC(=O)NC.
What is the InChIKey of N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide?
The InChIKey is XUASWIVGIYEVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-3-4-8(12)10(6)5-7(11)9-2/h3-4H,1,5H2,2H3,(H,9,11).
What are the key properties of N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide?
N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide has a molecular weight of 166.18 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide is sourced from PubChem (CID 91000242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).