1-propan-2-ylpyrrole-2,5-diimine

C7H11N3 — CID 151330154

IUPAC1-propan-2-ylpyrrole-2,5-diimine
SMILES[H]/N=C1\C=C/C(=N\[H])N1C(C)C
InChIInChI=1S/C7H11N3/c1-5(2)10-6(8)3-4-7(10)9/h3-5,8-9H,1-2H3/b8-6+,9-7+
InChIKeyOIHCSQCUCHQTLQ-CDJQDVQCSA-N
MW137.19 g/mol
LogP1.22
Rot. Bonds1

About 1-propan-2-ylpyrrole-2,5-diimine

1-propan-2-ylpyrrole-2,5-diimine (PubChem CID 151330154) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-propan-2-ylpyrrole-2,5-diimine.

Molecular Properties

Compound Name1-propan-2-ylpyrrole-2,5-diimine
PubChem CID151330154
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-propan-2-ylpyrrole-2,5-diimine
SMILES[H]/N=C1\C=C/C(=N\[H])N1C(C)C
InChIInChI=1S/C7H11N3/c1-5(2)10-6(8)3-4-7(10)9/h3-5,8-9H,1-2H3/b8-6+,9-7+
InChIKeyOIHCSQCUCHQTLQ-CDJQDVQCSA-N
XLogP1.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-propan-2-ylpyrrole-2,5-diimine?
The IUPAC name of 1-propan-2-ylpyrrole-2,5-diimine (CID 151330154) is 1-propan-2-ylpyrrole-2,5-diimine.
What is the SMILES notation for 1-propan-2-ylpyrrole-2,5-diimine?
The canonical SMILES for 1-propan-2-ylpyrrole-2,5-diimine is [H]/N=C1\C=C/C(=N\[H])N1C(C)C.
What is the InChIKey of 1-propan-2-ylpyrrole-2,5-diimine?
The InChIKey is OIHCSQCUCHQTLQ-CDJQDVQCSA-N. The full InChI is InChI=1S/C7H11N3/c1-5(2)10-6(8)3-4-7(10)9/h3-5,8-9H,1-2H3/b8-6+,9-7+.
What are the key properties of 1-propan-2-ylpyrrole-2,5-diimine?
1-propan-2-ylpyrrole-2,5-diimine has a molecular weight of 137.19 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrrole-2,5-diimine is sourced from PubChem (CID 151330154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).