1-indol-1-ylpyrrolidin-2-imine

C12H13N3 — CID 70537389

IUPAC1-indol-1-ylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1n1ccc2ccccc21
InChIInChI=1S/C12H13N3/c13-12-6-3-8-15(12)14-9-7-10-4-1-2-5-11(10)14/h1-2,4-5,7,9,13H,3,6,8H2/b13-12+
InChIKeyUMRPZFWROCCIAT-OUKQBFOZSA-N
MW199.26 g/mol
LogP2.35
Rot. Bonds1

About 1-indol-1-ylpyrrolidin-2-imine

1-indol-1-ylpyrrolidin-2-imine (PubChem CID 70537389) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 1-indol-1-ylpyrrolidin-2-imine.

Molecular Properties

Compound Name1-indol-1-ylpyrrolidin-2-imine
PubChem CID70537389
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name1-indol-1-ylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1n1ccc2ccccc21
InChIInChI=1S/C12H13N3/c13-12-6-3-8-15(12)14-9-7-10-4-1-2-5-11(10)14/h1-2,4-5,7,9,13H,3,6,8H2/b13-12+
InChIKeyUMRPZFWROCCIAT-OUKQBFOZSA-N
XLogP2.35
TPSA32.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pyrrolidin-1-ylindole
CID 19365073
1-indol-1-ylpiperidin-4-one
CID 138676565
1-naphthalen-2-ylpyrrolidin-2-imine
CID 60722830
1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine
CID 107853052
1-[(E)-2-indol-1-ylethenyl]indole
CID 6425891
1-benzhydrylpyrrolidin-2-imine
CID 43167156
1-quinolin-3-ylpyrrolidin-2-imine
CID 62783126
1-(2-methylbut-3-yn-2-yl)indole
CID 14613219
2-indol-1-ylpropan-2-amine
CID 68539094
3-indol-1-yl-3-methylbutanimidamide
CID 90272000
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine
CID 66409750
1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride
CID 20994507

Frequently Asked Questions

What is the IUPAC name of 1-indol-1-ylpyrrolidin-2-imine?
The IUPAC name of 1-indol-1-ylpyrrolidin-2-imine (CID 70537389) is 1-indol-1-ylpyrrolidin-2-imine.
What is the SMILES notation for 1-indol-1-ylpyrrolidin-2-imine?
The canonical SMILES for 1-indol-1-ylpyrrolidin-2-imine is [H]/N=C1\CCCN1n1ccc2ccccc21.
What is the InChIKey of 1-indol-1-ylpyrrolidin-2-imine?
The InChIKey is UMRPZFWROCCIAT-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H13N3/c13-12-6-3-8-15(12)14-9-7-10-4-1-2-5-11(10)14/h1-2,4-5,7,9,13H,3,6,8H2/b13-12+.
What are the key properties of 1-indol-1-ylpyrrolidin-2-imine?
1-indol-1-ylpyrrolidin-2-imine has a molecular weight of 199.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-ylpyrrolidin-2-imine is sourced from PubChem (CID 70537389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).