N-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide

C8H12N2O — CID 89313763

IUPACN-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide
SMILESCC(=O)NC1C=CN=C[C@@H]1C
InChIInChI=1S/C8H12N2O/c1-6-5-9-4-3-8(6)10-7(2)11/h3-6,8H,1-2H3,(H,10,11)/t6-,8?/m0/s1
InChIKeyUXRVGXVXLASHNP-UUEFVBAFSA-N
MW152.20 g/mol
LogP0.73
Rot. Bonds1

About N-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide

N-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide (PubChem CID 89313763) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide
PubChem CID89313763
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide
SMILESCC(=O)NC1C=CN=C[C@@H]1C
InChIInChI=1S/C8H12N2O/c1-6-5-9-4-3-8(6)10-7(2)11/h3-6,8H,1-2H3,(H,10,11)/t6-,8?/m0/s1
InChIKeyUXRVGXVXLASHNP-UUEFVBAFSA-N
XLogP0.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide?
The IUPAC name of N-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide (CID 89313763) is N-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide.
What is the SMILES notation for N-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide?
The canonical SMILES for N-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide is CC(=O)NC1C=CN=C[C@@H]1C.
What is the InChIKey of N-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide?
The InChIKey is UXRVGXVXLASHNP-UUEFVBAFSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-5-9-4-3-8(6)10-7(2)11/h3-6,8H,1-2H3,(H,10,11)/t6-,8?/m0/s1.
What are the key properties of N-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide?
N-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide is sourced from PubChem (CID 89313763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).