1-methanimidoylpyrrolidin-2-imine

C5H9N3 — CID 134448136

IUPAC1-methanimidoylpyrrolidin-2-imine
SMILES[H]/N=C/N1CCC/C1=N\[H]
InChIInChI=1S/C5H9N3/c6-4-8-3-1-2-5(8)7/h4,6-7H,1-3H2/b6-4+,7-5+
InChIKeyLNPKVGMEBINGHS-YDFGWWAZSA-N
MW111.15 g/mol
LogP0.67
Rot. Bonds1

About 1-methanimidoylpyrrolidin-2-imine

1-methanimidoylpyrrolidin-2-imine (PubChem CID 134448136) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1-methanimidoylpyrrolidin-2-imine.

Molecular Properties

Compound Name1-methanimidoylpyrrolidin-2-imine
PubChem CID134448136
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1-methanimidoylpyrrolidin-2-imine
SMILES[H]/N=C/N1CCC/C1=N\[H]
InChIInChI=1S/C5H9N3/c6-4-8-3-1-2-5(8)7/h4,6-7H,1-3H2/b6-4+,7-5+
InChIKeyLNPKVGMEBINGHS-YDFGWWAZSA-N
XLogP0.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.67
H-Bond Donors ≤ 52
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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Related Compounds

1-Methylpyrrolidin-2-imine hydrochloride
CID 12448967
1-Methylpyrrolidin-2-imine;hydroiodide
CID 90654248
1-Cyclopropylpyrrolidin-2-imine
CID 43121963
1-Pyrrolidin-1-ylethanimine
CID 10855418
1-Methyl-2-pyrrolidinimine
CID 12448966
1-Ethyl-2-iminopyrrolidine
CID 12449021
1-(2-Methylpropyl)pyrrolidin-2-imine
CID 43121964
1-(Trifluoromethyl)pyrrolidin-2-imine
CID 54270871
1-(Trifluoromethyl)pyrrolidin-2-imine;hydrochloride
CID 140986446
1-Pentylpyrrolidin-2-imine
CID 43121918
1-(2,2,2-Trifluoroethyl)pyrrolidin-2-imine
CID 43121948
3,3,3-Trifluoro-1-pyrrolidin-1-ylpropan-1-imine
CID 63179373

Frequently Asked Questions

What is the IUPAC name of 1-methanimidoylpyrrolidin-2-imine?
The IUPAC name of 1-methanimidoylpyrrolidin-2-imine (CID 134448136) is 1-methanimidoylpyrrolidin-2-imine.
What is the SMILES notation for 1-methanimidoylpyrrolidin-2-imine?
The canonical SMILES for 1-methanimidoylpyrrolidin-2-imine is [H]/N=C/N1CCC/C1=N\[H].
What is the InChIKey of 1-methanimidoylpyrrolidin-2-imine?
The InChIKey is LNPKVGMEBINGHS-YDFGWWAZSA-N. The full InChI is InChI=1S/C5H9N3/c6-4-8-3-1-2-5(8)7/h4,6-7H,1-3H2/b6-4+,7-5+.
What are the key properties of 1-methanimidoylpyrrolidin-2-imine?
1-methanimidoylpyrrolidin-2-imine has a molecular weight of 111.15 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoylpyrrolidin-2-imine is sourced from PubChem (CID 134448136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).