N-(3-amino-3-cyanopropyl)acetamide

C6H11N3O — CID 122707061

IUPACN-(3-amino-3-cyanopropyl)acetamide
SMILESCC(=O)NCCC(N)C#N
InChIInChI=1S/C6H11N3O/c1-5(10)9-3-2-6(8)4-7/h6H,2-3,8H2,1H3,(H,9,10)
InChIKeyNYIIAQGFGKMUEI-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.64
Rot. Bonds3

About N-(3-amino-3-cyanopropyl)acetamide

N-(3-amino-3-cyanopropyl)acetamide (PubChem CID 122707061) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(3-amino-3-cyanopropyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-cyanopropyl)acetamide
PubChem CID122707061
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-(3-amino-3-cyanopropyl)acetamide
SMILESCC(=O)NCCC(N)C#N
InChIInChI=1S/C6H11N3O/c1-5(10)9-3-2-6(8)4-7/h6H,2-3,8H2,1H3,(H,9,10)
InChIKeyNYIIAQGFGKMUEI-UHFFFAOYSA-N
XLogP-0.64
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-cyanopropyl)acetamide?
The IUPAC name of N-(3-amino-3-cyanopropyl)acetamide (CID 122707061) is N-(3-amino-3-cyanopropyl)acetamide.
What is the SMILES notation for N-(3-amino-3-cyanopropyl)acetamide?
The canonical SMILES for N-(3-amino-3-cyanopropyl)acetamide is CC(=O)NCCC(N)C#N.
What is the InChIKey of N-(3-amino-3-cyanopropyl)acetamide?
The InChIKey is NYIIAQGFGKMUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(10)9-3-2-6(8)4-7/h6H,2-3,8H2,1H3,(H,9,10).
What are the key properties of N-(3-amino-3-cyanopropyl)acetamide?
N-(3-amino-3-cyanopropyl)acetamide has a molecular weight of 141.17 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-cyanopropyl)acetamide is sourced from PubChem (CID 122707061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).