1-quinolin-3-ylpyrrolidin-2-imine

C13H13N3 — CID 62783126

IUPAC1-quinolin-3-ylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1cnc2ccccc2c1
InChIInChI=1S/C13H13N3/c14-13-6-3-7-16(13)11-8-10-4-1-2-5-12(10)15-9-11/h1-2,4-5,8-9,14H,3,6-7H2/b14-13+
InChIKeyYRDXVGCVVFFWGX-BUHFOSPRSA-N
MW211.27 g/mol
LogP2.81
Rot. Bonds1

About 1-quinolin-3-ylpyrrolidin-2-imine

1-quinolin-3-ylpyrrolidin-2-imine (PubChem CID 62783126) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-quinolin-3-ylpyrrolidin-2-imine.

Molecular Properties

Compound Name1-quinolin-3-ylpyrrolidin-2-imine
PubChem CID62783126
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1-quinolin-3-ylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1cnc2ccccc2c1
InChIInChI=1S/C13H13N3/c14-13-6-3-7-16(13)11-8-10-4-1-2-5-12(10)15-9-11/h1-2,4-5,8-9,14H,3,6-7H2/b14-13+
InChIKeyYRDXVGCVVFFWGX-BUHFOSPRSA-N
XLogP2.81
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
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-quinolin-3-ylpyrrolidin-2-imine?
The IUPAC name of 1-quinolin-3-ylpyrrolidin-2-imine (CID 62783126) is 1-quinolin-3-ylpyrrolidin-2-imine.
What is the SMILES notation for 1-quinolin-3-ylpyrrolidin-2-imine?
The canonical SMILES for 1-quinolin-3-ylpyrrolidin-2-imine is [H]/N=C1\CCCN1c1cnc2ccccc2c1.
What is the InChIKey of 1-quinolin-3-ylpyrrolidin-2-imine?
The InChIKey is YRDXVGCVVFFWGX-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H13N3/c14-13-6-3-7-16(13)11-8-10-4-1-2-5-12(10)15-9-11/h1-2,4-5,8-9,14H,3,6-7H2/b14-13+.
What are the key properties of 1-quinolin-3-ylpyrrolidin-2-imine?
1-quinolin-3-ylpyrrolidin-2-imine has a molecular weight of 211.27 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-ylpyrrolidin-2-imine is sourced from PubChem (CID 62783126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).