1-(1H-inden-2-yl)pyrrolidin-1-ium

C13H16N+ — CID 7236163

IUPAC1-(1H-inden-2-yl)pyrrolidin-1-ium
SMILESC1=C([NH+]2CCCC2)Cc2ccccc21
InChIInChI=1S/C13H15N/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-14/h1-2,5-6,9H,3-4,7-8,10H2/p+1
InChIKeyUZNQNWYIDSYPLV-UHFFFAOYSA-O
MW186.28 g/mol
LogP1.26
Rot. Bonds1

About 1-(1H-inden-2-yl)pyrrolidin-1-ium

1-(1H-inden-2-yl)pyrrolidin-1-ium (PubChem CID 7236163) has the molecular formula C13H16N+ and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-(1H-inden-2-yl)pyrrolidin-1-ium.

Molecular Properties

Compound Name1-(1H-inden-2-yl)pyrrolidin-1-ium
PubChem CID7236163
Molecular FormulaC13H16N+
Molecular Weight186.28 g/mol
Exact Mass186.13
IUPAC Name1-(1H-inden-2-yl)pyrrolidin-1-ium
SMILESC1=C([NH+]2CCCC2)Cc2ccccc21
InChIInChI=1S/C13H15N/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-14/h1-2,5-6,9H,3-4,7-8,10H2/p+1
InChIKeyUZNQNWYIDSYPLV-UHFFFAOYSA-O
XLogP1.26
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_ene_B(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-inden-2-yl)pyrrolidin-1-ium?
The IUPAC name of 1-(1H-inden-2-yl)pyrrolidin-1-ium (CID 7236163) is 1-(1H-inden-2-yl)pyrrolidin-1-ium.
What is the SMILES notation for 1-(1H-inden-2-yl)pyrrolidin-1-ium?
The canonical SMILES for 1-(1H-inden-2-yl)pyrrolidin-1-ium is C1=C([NH+]2CCCC2)Cc2ccccc21.
What is the InChIKey of 1-(1H-inden-2-yl)pyrrolidin-1-ium?
The InChIKey is UZNQNWYIDSYPLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H15N/c1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-14/h1-2,5-6,9H,3-4,7-8,10H2/p+1.
What are the key properties of 1-(1H-inden-2-yl)pyrrolidin-1-ium?
1-(1H-inden-2-yl)pyrrolidin-1-ium has a molecular weight of 186.28 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-inden-2-yl)pyrrolidin-1-ium is sourced from PubChem (CID 7236163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).