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

C8H12N2O — CID 126633453

IUPACN-(3,4-dihydropyridin-2-ylmethyl)acetamide
SMILESCC(=O)NCC1=NC=CCC1
InChIInChI=1S/C8H12N2O/c1-7(11)10-6-8-4-2-3-5-9-8/h3,5H,2,4,6H2,1H3,(H,10,11)
InChIKeyVBUHVLHVDQZVHH-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.87
Rot. Bonds2

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

N-(3,4-dihydropyridin-2-ylmethyl)acetamide (PubChem CID 126633453) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-2-ylmethyl)acetamide
PubChem CID126633453
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-(3,4-dihydropyridin-2-ylmethyl)acetamide
SMILESCC(=O)NCC1=NC=CCC1
InChIInChI=1S/C8H12N2O/c1-7(11)10-6-8-4-2-3-5-9-8/h3,5H,2,4,6H2,1H3,(H,10,11)
InChIKeyVBUHVLHVDQZVHH-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydropyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(3,4-dihydropyridin-2-ylmethyl)acetamide (CID 126633453) is N-(3,4-dihydropyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(3,4-dihydropyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(3,4-dihydropyridin-2-ylmethyl)acetamide is CC(=O)NCC1=NC=CCC1.
What is the InChIKey of N-(3,4-dihydropyridin-2-ylmethyl)acetamide?
The InChIKey is VBUHVLHVDQZVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7(11)10-6-8-4-2-3-5-9-8/h3,5H,2,4,6H2,1H3,(H,10,11).
What are the key properties of N-(3,4-dihydropyridin-2-ylmethyl)acetamide?
N-(3,4-dihydropyridin-2-ylmethyl)acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 126633453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).