2-[3-cyanopropyl(methyl)amino]acetamide

C7H13N3O — CID 43317598

IUPAC2-[3-cyanopropyl(methyl)amino]acetamide
SMILESCN(CCCC#N)CC(N)=O
InChIInChI=1S/C7H13N3O/c1-10(6-7(9)11)5-3-2-4-8/h2-3,5-6H2,1H3,(H2,9,11)
InChIKeyIZYTUQFVDQCZTM-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.29
Rot. Bonds5

About 2-[3-cyanopropyl(methyl)amino]acetamide

2-[3-cyanopropyl(methyl)amino]acetamide (PubChem CID 43317598) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-[3-cyanopropyl(methyl)amino]acetamide.

Molecular Properties

Compound Name2-[3-cyanopropyl(methyl)amino]acetamide
PubChem CID43317598
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-[3-cyanopropyl(methyl)amino]acetamide
SMILESCN(CCCC#N)CC(N)=O
InChIInChI=1S/C7H13N3O/c1-10(6-7(9)11)5-3-2-4-8/h2-3,5-6H2,1H3,(H2,9,11)
InChIKeyIZYTUQFVDQCZTM-UHFFFAOYSA-N
XLogP-0.29
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyanopropyl(methyl)amino]acetamide?
The IUPAC name of 2-[3-cyanopropyl(methyl)amino]acetamide (CID 43317598) is 2-[3-cyanopropyl(methyl)amino]acetamide.
What is the SMILES notation for 2-[3-cyanopropyl(methyl)amino]acetamide?
The canonical SMILES for 2-[3-cyanopropyl(methyl)amino]acetamide is CN(CCCC#N)CC(N)=O.
What is the InChIKey of 2-[3-cyanopropyl(methyl)amino]acetamide?
The InChIKey is IZYTUQFVDQCZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-10(6-7(9)11)5-3-2-4-8/h2-3,5-6H2,1H3,(H2,9,11).
What are the key properties of 2-[3-cyanopropyl(methyl)amino]acetamide?
2-[3-cyanopropyl(methyl)amino]acetamide has a molecular weight of 155.20 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyanopropyl(methyl)amino]acetamide is sourced from PubChem (CID 43317598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).