N-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide

C9H12N2O2 — CID 164680349

IUPACN-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide
SMILESCC(=O)N(C)CC(=O)n1cccc1
InChIInChI=1S/C9H12N2O2/c1-8(12)10(2)7-9(13)11-5-3-4-6-11/h3-6H,7H2,1-2H3
InChIKeyHGWUWSAJWOIUKF-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.61
Rot. Bonds2

About N-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide

N-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide (PubChem CID 164680349) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide
PubChem CID164680349
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide
SMILESCC(=O)N(C)CC(=O)n1cccc1
InChIInChI=1S/C9H12N2O2/c1-8(12)10(2)7-9(13)11-5-3-4-6-11/h3-6H,7H2,1-2H3
InChIKeyHGWUWSAJWOIUKF-UHFFFAOYSA-N
XLogP0.61
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide?
The IUPAC name of N-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide (CID 164680349) is N-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide.
What is the SMILES notation for N-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide?
The canonical SMILES for N-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide is CC(=O)N(C)CC(=O)n1cccc1.
What is the InChIKey of N-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide?
The InChIKey is HGWUWSAJWOIUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-8(12)10(2)7-9(13)11-5-3-4-6-11/h3-6H,7H2,1-2H3.
What are the key properties of N-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide?
N-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide has a molecular weight of 180.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide is sourced from PubChem (CID 164680349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).