N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide

C9H14N2O2 — CID 104788236

IUPACN,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide
SMILESCN(C)C(=O)CNC1=CC(=O)CC1
InChIInChI=1S/C9H14N2O2/c1-11(2)9(13)6-10-7-3-4-8(12)5-7/h5,10H,3-4,6H2,1-2H3
InChIKeyIYFPHKMZOJVKHW-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.09
Rot. Bonds3

About N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide

N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide (PubChem CID 104788236) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide
PubChem CID104788236
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide
SMILESCN(C)C(=O)CNC1=CC(=O)CC1
InChIInChI=1S/C9H14N2O2/c1-11(2)9(13)6-10-7-3-4-8(12)5-7/h5,10H,3-4,6H2,1-2H3
InChIKeyIYFPHKMZOJVKHW-UHFFFAOYSA-N
XLogP-0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide (CID 104788236) is N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide is CN(C)C(=O)CNC1=CC(=O)CC1.
What is the InChIKey of N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide?
The InChIKey is IYFPHKMZOJVKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11(2)9(13)6-10-7-3-4-8(12)5-7/h5,10H,3-4,6H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide?
N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide has a molecular weight of 182.22 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-oxocyclopenten-1-yl)amino]acetamide is sourced from PubChem (CID 104788236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).