2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide

C9H11N3O2 — CID 57263395

IUPAC2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide
SMILESCC=CN1CC(NC(=O)CC#N)C1=O
InChIInChI=1S/C9H11N3O2/c1-2-5-12-6-7(9(12)14)11-8(13)3-4-10/h2,5,7H,3,6H2,1H3,(H,11,13)
InChIKeyRPCBGONKZLOSOW-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.24
Rot. Bonds3

About 2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide

2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide (PubChem CID 57263395) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide
PubChem CID57263395
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide
SMILESCC=CN1CC(NC(=O)CC#N)C1=O
InChIInChI=1S/C9H11N3O2/c1-2-5-12-6-7(9(12)14)11-8(13)3-4-10/h2,5,7H,3,6H2,1H3,(H,11,13)
InChIKeyRPCBGONKZLOSOW-UHFFFAOYSA-N
XLogP-0.24
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide?
The IUPAC name of 2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide (CID 57263395) is 2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide?
The canonical SMILES for 2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide is CC=CN1CC(NC(=O)CC#N)C1=O.
What is the InChIKey of 2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide?
The InChIKey is RPCBGONKZLOSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-2-5-12-6-7(9(12)14)11-8(13)3-4-10/h2,5,7H,3,6H2,1H3,(H,11,13).
What are the key properties of 2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide?
2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide has a molecular weight of 193.21 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-oxo-1-prop-1-enylazetidin-3-yl)acetamide is sourced from PubChem (CID 57263395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).