N-[(6-ethenyl-3-pyridinyl)methyl]acetamide

C10H12N2O — CID 67478101

IUPACN-[(6-ethenyl-3-pyridinyl)methyl]acetamide
SMILESC=Cc1ccc(CNC(C)=O)cn1
InChIInChI=1S/C10H12N2O/c1-3-10-5-4-9(7-12-10)6-11-8(2)13/h3-5,7H,1,6H2,2H3,(H,11,13)
InChIKeyJGFDODSZGYRMNP-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.36
Rot. Bonds3

About N-[(6-ethenyl-3-pyridinyl)methyl]acetamide

N-[(6-ethenyl-3-pyridinyl)methyl]acetamide (PubChem CID 67478101) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-[(6-ethenyl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-ethenyl-3-pyridinyl)methyl]acetamide
PubChem CID67478101
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-[(6-ethenyl-3-pyridinyl)methyl]acetamide
SMILESC=Cc1ccc(CNC(C)=O)cn1
InChIInChI=1S/C10H12N2O/c1-3-10-5-4-9(7-12-10)6-11-8(2)13/h3-5,7H,1,6H2,2H3,(H,11,13)
InChIKeyJGFDODSZGYRMNP-UHFFFAOYSA-N
XLogP1.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-phenyl-3-pyridinyl)methyl]acetamide
CID 143102890
N-[(4-ethenoxyphenyl)methyl]acetamide
CID 58445947
5-(chloromethyl)-2-ethenylpyridine
CID 74890335
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
(6-ethenyl-3-pyridinyl) acetate
CID 74788312
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide
CID 170399576
N-[3-(5-hydroxy-2-pyridinyl)prop-2-enyl]acetamide
CID 169464931
N-[[6-(4-methoxy-2-methylphenyl)-3-pyridinyl]methyl]acetamide
CID 50969946
N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464899

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethenyl-3-pyridinyl)methyl]acetamide?
The IUPAC name of N-[(6-ethenyl-3-pyridinyl)methyl]acetamide (CID 67478101) is N-[(6-ethenyl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for N-[(6-ethenyl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for N-[(6-ethenyl-3-pyridinyl)methyl]acetamide is C=Cc1ccc(CNC(C)=O)cn1.
What is the InChIKey of N-[(6-ethenyl-3-pyridinyl)methyl]acetamide?
The InChIKey is JGFDODSZGYRMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-10-5-4-9(7-12-10)6-11-8(2)13/h3-5,7H,1,6H2,2H3,(H,11,13).
What are the key properties of N-[(6-ethenyl-3-pyridinyl)methyl]acetamide?
N-[(6-ethenyl-3-pyridinyl)methyl]acetamide has a molecular weight of 176.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethenyl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 67478101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).