cyclopent-2-en-1-imine

C5H7N — CID 22247237

IUPACcyclopent-2-en-1-imine
SMILES[H]/N=C1\C=CCC1
InChIInChI=1S/C5H7N/c6-5-3-1-2-4-5/h1,3,6H,2,4H2/b6-5+
InChIKeyXWTGDXKDFFPFGM-AATRIKPKSA-N
MW81.12 g/mol
LogP1.36
Rot. Bonds

About cyclopent-2-en-1-imine

cyclopent-2-en-1-imine (PubChem CID 22247237) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is cyclopent-2-en-1-imine.

Molecular Properties

Compound Namecyclopent-2-en-1-imine
PubChem CID22247237
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Namecyclopent-2-en-1-imine
SMILES[H]/N=C1\C=CCC1
InChIInChI=1S/C5H7N/c6-5-3-1-2-4-5/h1,3,6H,2,4H2/b6-5+
InChIKeyXWTGDXKDFFPFGM-AATRIKPKSA-N
XLogP1.36
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopent-2-en-1-imine?
The IUPAC name of cyclopent-2-en-1-imine (CID 22247237) is cyclopent-2-en-1-imine.
What is the SMILES notation for cyclopent-2-en-1-imine?
The canonical SMILES for cyclopent-2-en-1-imine is [H]/N=C1\C=CCC1.
What is the InChIKey of cyclopent-2-en-1-imine?
The InChIKey is XWTGDXKDFFPFGM-AATRIKPKSA-N. The full InChI is InChI=1S/C5H7N/c6-5-3-1-2-4-5/h1,3,6H,2,4H2/b6-5+.
What are the key properties of cyclopent-2-en-1-imine?
cyclopent-2-en-1-imine has a molecular weight of 81.12 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-2-en-1-imine is sourced from PubChem (CID 22247237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).