1H-pyrrole;1,2,3,4-tetrahydropyridine

C9H14N2 — CID 162060314

IUPAC1H-pyrrole;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.c1cc[nH]c1
InChIInChI=1S/C5H9N.C4H5N/c1-2-4-6-5-3-1;1-2-4-5-3-1/h2,4,6H,1,3,5H2;1-5H
InChIKeyYZSZCKXFCGTXLF-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.90
Rot. Bonds

About 1H-pyrrole;1,2,3,4-tetrahydropyridine

1H-pyrrole;1,2,3,4-tetrahydropyridine (PubChem CID 162060314) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1H-pyrrole;1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name1H-pyrrole;1,2,3,4-tetrahydropyridine
PubChem CID162060314
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1H-pyrrole;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.c1cc[nH]c1
InChIInChI=1S/C5H9N.C4H5N/c1-2-4-6-5-3-1;1-2-4-5-3-1/h2,4,6H,1,3,5H2;1-5H
InChIKeyYZSZCKXFCGTXLF-UHFFFAOYSA-N
XLogP1.90
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole;1,2,3,4-tetrahydropyridine?
The IUPAC name of 1H-pyrrole;1,2,3,4-tetrahydropyridine (CID 162060314) is 1H-pyrrole;1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 1H-pyrrole;1,2,3,4-tetrahydropyridine?
The canonical SMILES for 1H-pyrrole;1,2,3,4-tetrahydropyridine is C1=CNCCC1.c1cc[nH]c1.
What is the InChIKey of 1H-pyrrole;1,2,3,4-tetrahydropyridine?
The InChIKey is YZSZCKXFCGTXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.C4H5N/c1-2-4-6-5-3-1;1-2-4-5-3-1/h2,4,6H,1,3,5H2;1-5H.
What are the key properties of 1H-pyrrole;1,2,3,4-tetrahydropyridine?
1H-pyrrole;1,2,3,4-tetrahydropyridine has a molecular weight of 150.22 g/mol, XLogP of 1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole;1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 162060314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).