1-pyrrolidin-1-ylethylidenecyanamide

C7H11N3 — CID 142185225

IUPAC1-pyrrolidin-1-ylethylidenecyanamide
SMILESC/C(=N\C#N)N1CCCC1
InChIInChI=1S/C7H11N3/c1-7(9-6-8)10-4-2-3-5-10/h2-5H2,1H3/b9-7+
InChIKeyXGKFWTVMDMUDKW-VQHVLOKHSA-N
MW137.19 g/mol
LogP0.98
Rot. Bonds

About 1-pyrrolidin-1-ylethylidenecyanamide

1-pyrrolidin-1-ylethylidenecyanamide (PubChem CID 142185225) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylethylidenecyanamide.

Molecular Properties

Compound Name1-pyrrolidin-1-ylethylidenecyanamide
PubChem CID142185225
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-pyrrolidin-1-ylethylidenecyanamide
SMILESC/C(=N\C#N)N1CCCC1
InChIInChI=1S/C7H11N3/c1-7(9-6-8)10-4-2-3-5-10/h2-5H2,1H3/b9-7+
InChIKeyXGKFWTVMDMUDKW-VQHVLOKHSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Methanamine, N-(1-methyl-2-pyrrolidinylidene)-
CID 574377
5-(Pyrrolidin-1-yl)-3,4-dihydro-2H-pyrrole
CID 330201
Guanidine, N-cyano-N'-(1-methyl-2-pyrrolidinylidene)-
CID 9589493
N-Cyanomethyl-2-cyanimino-pyrrolidine
CID 590417
N-ethyl-1-methylpyrrolidin-2-imine
CID 12896054
(1-Methylpyrrolidin-2-ylidene)cyanamide
CID 379672
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium
CID 15935236
1-[(3R)-3-fluoropyrrolidin-1-yl]-N-methylethanimine
CID 146187276
N-tert-butyl-1-pyrrolidin-1-ylethanimine
CID 334767
1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-2-imine
CID 90654274
[(E)-(Pyrrolidin-1-yl)methylidene]cyanamide
CID 12369774
[(1E)-2-Cyano-1-(pyrrolidin-1-yl)ethylidene]cyanamide
CID 12436750

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylethylidenecyanamide?
The IUPAC name of 1-pyrrolidin-1-ylethylidenecyanamide (CID 142185225) is 1-pyrrolidin-1-ylethylidenecyanamide.
What is the SMILES notation for 1-pyrrolidin-1-ylethylidenecyanamide?
The canonical SMILES for 1-pyrrolidin-1-ylethylidenecyanamide is C/C(=N\C#N)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylethylidenecyanamide?
The InChIKey is XGKFWTVMDMUDKW-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H11N3/c1-7(9-6-8)10-4-2-3-5-10/h2-5H2,1H3/b9-7+.
What are the key properties of 1-pyrrolidin-1-ylethylidenecyanamide?
1-pyrrolidin-1-ylethylidenecyanamide has a molecular weight of 137.19 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylethylidenecyanamide is sourced from PubChem (CID 142185225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).