2-cyano-1-pyrrolidin-1-ylguanidine

C6H11N5 — CID 174836086

IUPAC2-cyano-1-pyrrolidin-1-ylguanidine
SMILESN#C/N=C(\N)NN1CCCC1
InChIInChI=1S/C6H11N5/c7-5-9-6(8)10-11-3-1-2-4-11/h1-4H2,(H3,8,9,10)
InChIKeyBPIKUCAAVPXMOE-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.62
Rot. Bonds1

About 2-cyano-1-pyrrolidin-1-ylguanidine

2-cyano-1-pyrrolidin-1-ylguanidine (PubChem CID 174836086) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-cyano-1-pyrrolidin-1-ylguanidine.

Molecular Properties

Compound Name2-cyano-1-pyrrolidin-1-ylguanidine
PubChem CID174836086
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name2-cyano-1-pyrrolidin-1-ylguanidine
SMILESN#C/N=C(\N)NN1CCCC1
InChIInChI=1S/C6H11N5/c7-5-9-6(8)10-11-3-1-2-4-11/h1-4H2,(H3,8,9,10)
InChIKeyBPIKUCAAVPXMOE-UHFFFAOYSA-N
XLogP-0.62
TPSA77.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide
CID 91801508
N-(azetidin-1-yl)-N'-cyanopiperidine-1-carboximidamide
CID 91345657
pyrrolidin-1-ylurea;hydrate
CID 141393036
1-piperidin-1-yl-2-propan-2-ylguanidine
CID 83026670
bis(2-cyanoguanidine);cyclohexane
CID 23431649
dipyrrolidin-1-ylmethylidenecyanamide
CID 101164131
carbamodithioic acid;pyrrolidin-1-ylcarbamodithioic acid
CID 87109326
3-(N'-cyanocarbamimidoyl)-1,3-diazinane-1-carboxamide
CID 158720899
N-pyrrolidin-1-ylhydroxylamine
CID 54495449
2-((15N)azanylidyne(113C)methyl)(13C)guanidine
CID 172880658
N-piperidin-1-ylcyclohexanecarboxamide
CID 17164620
piperidin-1-ylcyanamide
CID 83018851

Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-pyrrolidin-1-ylguanidine?
The IUPAC name of 2-cyano-1-pyrrolidin-1-ylguanidine (CID 174836086) is 2-cyano-1-pyrrolidin-1-ylguanidine.
What is the SMILES notation for 2-cyano-1-pyrrolidin-1-ylguanidine?
The canonical SMILES for 2-cyano-1-pyrrolidin-1-ylguanidine is N#C/N=C(\N)NN1CCCC1.
What is the InChIKey of 2-cyano-1-pyrrolidin-1-ylguanidine?
The InChIKey is BPIKUCAAVPXMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c7-5-9-6(8)10-11-3-1-2-4-11/h1-4H2,(H3,8,9,10).
What are the key properties of 2-cyano-1-pyrrolidin-1-ylguanidine?
2-cyano-1-pyrrolidin-1-ylguanidine has a molecular weight of 153.19 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-pyrrolidin-1-ylguanidine is sourced from PubChem (CID 174836086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).