N-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide

C9H15N2O+ — CID 58621940

IUPACN-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide
SMILESCC(=O)NCC1=CC[NH+](C)C=C1
InChIInChI=1S/C9H14N2O/c1-8(12)10-7-9-3-5-11(2)6-4-9/h3-5H,6-7H2,1-2H3,(H,10,12)/p+1
InChIKeyVWDLYZLYUWAXAJ-UHFFFAOYSA-O
MW167.23 g/mol
LogP-0.91
Rot. Bonds2

About N-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide

N-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide (PubChem CID 58621940) has the molecular formula C9H15N2O+ and a molecular weight of 167.23 g/mol. Its IUPAC name is N-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide
PubChem CID58621940
Molecular FormulaC9H15N2O+
Molecular Weight167.23 g/mol
Exact Mass167.12
IUPAC NameN-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide
SMILESCC(=O)NCC1=CC[NH+](C)C=C1
InChIInChI=1S/C9H14N2O/c1-8(12)10-7-9-3-5-11(2)6-4-9/h3-5H,6-7H2,1-2H3,(H,10,12)/p+1
InChIKeyVWDLYZLYUWAXAJ-UHFFFAOYSA-O
XLogP-0.91
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-Aminoethyl)-4-methyl-1,2-dihydropyridin-2-one dihydrochloride
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2(1H)-Pyridinone, 4-methyl-1-propyl-
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CID 22061287
N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide
CID 143680491
CID 157787897
CID 157787897
4-vinyl-N-acetyl-pyridine
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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide?
The IUPAC name of N-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide (CID 58621940) is N-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide?
The canonical SMILES for N-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide is CC(=O)NCC1=CC[NH+](C)C=C1.
What is the InChIKey of N-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide?
The InChIKey is VWDLYZLYUWAXAJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14N2O/c1-8(12)10-7-9-3-5-11(2)6-4-9/h3-5H,6-7H2,1-2H3,(H,10,12)/p+1.
What are the key properties of N-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide?
N-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide has a molecular weight of 167.23 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-1,2-dihydropyridin-1-ium-4-yl)methyl]acetamide is sourced from PubChem (CID 58621940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).