[1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide

C7H8N4 — CID 590417

IUPAC[1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide
SMILESN#CCN1CCC/C1=N\C#N
InChIInChI=1S/C7H8N4/c8-3-5-11-4-1-2-7(11)10-6-9/h1-2,4-5H2/b10-7+
InChIKeyYETPJLMNHFSZJR-JXMROGBWSA-N
MW148.17 g/mol
LogP0.49
Rot. Bonds1

About [1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide

[1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide (PubChem CID 590417) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is [1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide
PubChem CID590417
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name[1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide
SMILESN#CCN1CCC/C1=N\C#N
InChIInChI=1S/C7H8N4/c8-3-5-11-4-1-2-7(11)10-6-9/h1-2,4-5H2/b10-7+
InChIKeyYETPJLMNHFSZJR-JXMROGBWSA-N
XLogP0.49
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide?
The IUPAC name of [1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide (CID 590417) is [1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide.
What is the SMILES notation for [1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide?
The canonical SMILES for [1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide is N#CCN1CCC/C1=N\C#N.
What is the InChIKey of [1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide?
The InChIKey is YETPJLMNHFSZJR-JXMROGBWSA-N. The full InChI is InChI=1S/C7H8N4/c8-3-5-11-4-1-2-7(11)10-6-9/h1-2,4-5H2/b10-7+.
What are the key properties of [1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide?
[1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide has a molecular weight of 148.17 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyanomethyl)pyrrolidin-2-ylidene]cyanamide is sourced from PubChem (CID 590417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).