N-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide

C6H11N2O+ — CID 170766975

IUPACN-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide
SMILESCC(=O)NC1C=[N+](C)C1
InChIInChI=1S/C6H10N2O/c1-5(9)7-6-3-8(2)4-6/h3,6H,4H2,1-2H3/p+1
InChIKeyQRUKGQJHSVWKOG-UHFFFAOYSA-O
MW127.17 g/mol
LogP-0.78
Rot. Bonds1

About N-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide

N-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide (PubChem CID 170766975) has the molecular formula C6H11N2O+ and a molecular weight of 127.17 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide
PubChem CID170766975
Molecular FormulaC6H11N2O+
Molecular Weight127.17 g/mol
Exact Mass127.09
IUPAC NameN-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide
SMILESCC(=O)NC1C=[N+](C)C1
InChIInChI=1S/C6H10N2O/c1-5(9)7-6-3-8(2)4-6/h3,6H,4H2,1-2H3/p+1
InChIKeyQRUKGQJHSVWKOG-UHFFFAOYSA-O
XLogP-0.78
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide?
The IUPAC name of N-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide (CID 170766975) is N-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide.
What is the SMILES notation for N-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide?
The canonical SMILES for N-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide is CC(=O)NC1C=[N+](C)C1.
What is the InChIKey of N-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide?
The InChIKey is QRUKGQJHSVWKOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2O/c1-5(9)7-6-3-8(2)4-6/h3,6H,4H2,1-2H3/p+1.
What are the key properties of N-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide?
N-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide has a molecular weight of 127.17 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydroazet-1-ium-3-yl)acetamide is sourced from PubChem (CID 170766975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).