N-(2,3-dihydropyridin-4-ylmethyl)acetamide

C8H12N2O — CID 138478321

IUPACN-(2,3-dihydropyridin-4-ylmethyl)acetamide
SMILESCC(=O)NCC1=CC=NCC1
InChIInChI=1S/C8H12N2O/c1-7(11)10-6-8-2-4-9-5-3-8/h2,4H,3,5-6H2,1H3,(H,10,11)
InChIKeyDZHALCWEXMSASW-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.52
Rot. Bonds2

About N-(2,3-dihydropyridin-4-ylmethyl)acetamide

N-(2,3-dihydropyridin-4-ylmethyl)acetamide (PubChem CID 138478321) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-(2,3-dihydropyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydropyridin-4-ylmethyl)acetamide
PubChem CID138478321
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-(2,3-dihydropyridin-4-ylmethyl)acetamide
SMILESCC(=O)NCC1=CC=NCC1
InChIInChI=1S/C8H12N2O/c1-7(11)10-6-8-2-4-9-5-3-8/h2,4H,3,5-6H2,1H3,(H,10,11)
InChIKeyDZHALCWEXMSASW-UHFFFAOYSA-N
XLogP0.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

n-Propyldihydronicotinamide
CID 129632151
N-prop-2-enyl-2,3-dihydropyridine-3-carboxamide
CID 69327973
N-ethyl-2,5-dihydropyridine-5-carboxamide
CID 91444132
N-[2-(methyliminomethyl)but-2-enyl]acetamide
CID 123446401
N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide
CID 139505612
N-(4-methyl-2,3-dihydropyridin-2-yl)acetamide
CID 143482563
N-[(E)-2-ethyl-4-methyliminobut-2-enyl]acetamide
CID 143514853
ethane;N-[(E)-2-ethenyl-4-iminobut-2-enyl]acetamide
CID 145341932
N-[3-(2-methylprop-2-enoylamino)propyl]-2,3-dihydropyridine-4-carboxamide
CID 145510764
ethane;N-[(E)-2-ethenyl-4-iminobut-2-enyl]acetamide
CID 153344148
ethane;N-[(E)-2-ethenyl-4-methyliminobut-2-enyl]acetamide;propane
CID 153344253
N-[(Z)-3-(methanimidoyliminomethyl)pent-3-enyl]acetamide
CID 157036972

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydropyridin-4-ylmethyl)acetamide?
The IUPAC name of N-(2,3-dihydropyridin-4-ylmethyl)acetamide (CID 138478321) is N-(2,3-dihydropyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-(2,3-dihydropyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-(2,3-dihydropyridin-4-ylmethyl)acetamide is CC(=O)NCC1=CC=NCC1.
What is the InChIKey of N-(2,3-dihydropyridin-4-ylmethyl)acetamide?
The InChIKey is DZHALCWEXMSASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7(11)10-6-8-2-4-9-5-3-8/h2,4H,3,5-6H2,1H3,(H,10,11).
What are the key properties of N-(2,3-dihydropyridin-4-ylmethyl)acetamide?
N-(2,3-dihydropyridin-4-ylmethyl)acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydropyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 138478321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).