1-(2,3-dihydropyrrol-1-yl)propan-1-imine

C7H12N2 — CID 70213225

IUPAC1-(2,3-dihydropyrrol-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1C=CCC1
InChIInChI=1S/C7H12N2/c1-2-7(8)9-5-3-4-6-9/h3,5,8H,2,4,6H2,1H3/b8-7+
InChIKeyRBCYNJVQUCHGNM-BQYQJAHWSA-N
MW124.19 g/mol
LogP1.59
Rot. Bonds1

About 1-(2,3-dihydropyrrol-1-yl)propan-1-imine

1-(2,3-dihydropyrrol-1-yl)propan-1-imine (PubChem CID 70213225) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-(2,3-dihydropyrrol-1-yl)propan-1-imine.

Molecular Properties

Compound Name1-(2,3-dihydropyrrol-1-yl)propan-1-imine
PubChem CID70213225
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-(2,3-dihydropyrrol-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1C=CCC1
InChIInChI=1S/C7H12N2/c1-2-7(8)9-5-3-4-6-9/h3,5,8H,2,4,6H2,1H3/b8-7+
InChIKeyRBCYNJVQUCHGNM-BQYQJAHWSA-N
XLogP1.59
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrrol-1-yl)propan-1-imine?
The IUPAC name of 1-(2,3-dihydropyrrol-1-yl)propan-1-imine (CID 70213225) is 1-(2,3-dihydropyrrol-1-yl)propan-1-imine.
What is the SMILES notation for 1-(2,3-dihydropyrrol-1-yl)propan-1-imine?
The canonical SMILES for 1-(2,3-dihydropyrrol-1-yl)propan-1-imine is [H]/N=C(\CC)N1C=CCC1.
What is the InChIKey of 1-(2,3-dihydropyrrol-1-yl)propan-1-imine?
The InChIKey is RBCYNJVQUCHGNM-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-7(8)9-5-3-4-6-9/h3,5,8H,2,4,6H2,1H3/b8-7+.
What are the key properties of 1-(2,3-dihydropyrrol-1-yl)propan-1-imine?
1-(2,3-dihydropyrrol-1-yl)propan-1-imine has a molecular weight of 124.19 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrrol-1-yl)propan-1-imine is sourced from PubChem (CID 70213225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).