N-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide

C11H11N3O — CID 169465094

IUPACN-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ncccc1C#N
InChIInChI=1S/C11H11N3O/c1-9(15)13-6-3-5-11-10(8-12)4-2-7-14-11/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeyHFGBJIXDKNHSNH-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.10
Rot. Bonds3

About N-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide

N-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide (PubChem CID 169465094) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is N-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide
PubChem CID169465094
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC NameN-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ncccc1C#N
InChIInChI=1S/C11H11N3O/c1-9(15)13-6-3-5-11-10(8-12)4-2-7-14-11/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeyHFGBJIXDKNHSNH-UHFFFAOYSA-N
XLogP1.10
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide (CID 169465094) is N-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ncccc1C#N.
What is the InChIKey of N-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide?
The InChIKey is HFGBJIXDKNHSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-9(15)13-6-3-5-11-10(8-12)4-2-7-14-11/h2-5,7H,6H2,1H3,(H,13,15).
What are the key properties of N-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide?
N-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide has a molecular weight of 201.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyano-2-pyridinyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).