N-methylpyrrolidine-1-carboximidoyl cyanide

C7H11N3 — CID 123728316

IUPACN-methylpyrrolidine-1-carboximidoyl cyanide
SMILESC/N=C(\C#N)N1CCCC1
InChIInChI=1S/C7H11N3/c1-9-7(6-8)10-4-2-3-5-10/h2-5H2,1H3/b9-7+
InChIKeyZYQFNOGVYJZLGN-VQHVLOKHSA-N
MW137.19 g/mol
LogP0.63
Rot. Bonds

About N-methylpyrrolidine-1-carboximidoyl cyanide

N-methylpyrrolidine-1-carboximidoyl cyanide (PubChem CID 123728316) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N-methylpyrrolidine-1-carboximidoyl cyanide.

Molecular Properties

Compound NameN-methylpyrrolidine-1-carboximidoyl cyanide
PubChem CID123728316
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN-methylpyrrolidine-1-carboximidoyl cyanide
SMILESC/N=C(\C#N)N1CCCC1
InChIInChI=1S/C7H11N3/c1-9-7(6-8)10-4-2-3-5-10/h2-5H2,1H3/b9-7+
InChIKeyZYQFNOGVYJZLGN-VQHVLOKHSA-N
XLogP0.63
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylpyrrolidine-1-carboximidoyl cyanide?
The IUPAC name of N-methylpyrrolidine-1-carboximidoyl cyanide (CID 123728316) is N-methylpyrrolidine-1-carboximidoyl cyanide.
What is the SMILES notation for N-methylpyrrolidine-1-carboximidoyl cyanide?
The canonical SMILES for N-methylpyrrolidine-1-carboximidoyl cyanide is C/N=C(\C#N)N1CCCC1.
What is the InChIKey of N-methylpyrrolidine-1-carboximidoyl cyanide?
The InChIKey is ZYQFNOGVYJZLGN-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H11N3/c1-9-7(6-8)10-4-2-3-5-10/h2-5H2,1H3/b9-7+.
What are the key properties of N-methylpyrrolidine-1-carboximidoyl cyanide?
N-methylpyrrolidine-1-carboximidoyl cyanide has a molecular weight of 137.19 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpyrrolidine-1-carboximidoyl cyanide is sourced from PubChem (CID 123728316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).