2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine

C9H12N2 — CID 91274312

IUPAC2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine
SMILESC1=CCC(N2C=CCC2)N=C1
InChIInChI=1S/C9H12N2/c1-2-6-10-9(5-1)11-7-3-4-8-11/h1-3,6-7,9H,4-5,8H2
InChIKeyWKKKFISEWURRCP-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.56
Rot. Bonds1

About 2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine

2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine (PubChem CID 91274312) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine
PubChem CID91274312
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine
SMILESC1=CCC(N2C=CCC2)N=C1
InChIInChI=1S/C9H12N2/c1-2-6-10-9(5-1)11-7-3-4-8-11/h1-3,6-7,9H,4-5,8H2
InChIKeyWKKKFISEWURRCP-UHFFFAOYSA-N
XLogP1.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine?
The IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine (CID 91274312) is 2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine.
What is the SMILES notation for 2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine?
The canonical SMILES for 2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine is C1=CCC(N2C=CCC2)N=C1.
What is the InChIKey of 2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine?
The InChIKey is WKKKFISEWURRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-6-10-9(5-1)11-7-3-4-8-11/h1-3,6-7,9H,4-5,8H2.
What are the key properties of 2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine?
2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine has a molecular weight of 148.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyridine is sourced from PubChem (CID 91274312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).