1,4-dihydropyridine;3,4-dihydro-2H-pyrrole

C9H14N2 — CID 174903845

IUPAC1,4-dihydropyridine;3,4-dihydro-2H-pyrrole
SMILESC1=CNC=CC1.C1=NCCC1
InChIInChI=1S/C5H7N.C4H7N/c1-2-4-6-5-3-1;1-2-4-5-3-1/h2-6H,1H2;3H,1-2,4H2
InChIKeyUDINHZLZSYIQTO-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds

About 1,4-dihydropyridine;3,4-dihydro-2H-pyrrole

1,4-dihydropyridine;3,4-dihydro-2H-pyrrole (PubChem CID 174903845) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,4-dihydropyridine;3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name1,4-dihydropyridine;3,4-dihydro-2H-pyrrole
PubChem CID174903845
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,4-dihydropyridine;3,4-dihydro-2H-pyrrole
SMILESC1=CNC=CC1.C1=NCCC1
InChIInChI=1S/C5H7N.C4H7N/c1-2-4-6-5-3-1;1-2-4-5-3-1/h2-6H,1H2;3H,1-2,4H2
InChIKeyUDINHZLZSYIQTO-UHFFFAOYSA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyridine;3,4-dihydro-2H-pyrrole?
The IUPAC name of 1,4-dihydropyridine;3,4-dihydro-2H-pyrrole (CID 174903845) is 1,4-dihydropyridine;3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 1,4-dihydropyridine;3,4-dihydro-2H-pyrrole?
The canonical SMILES for 1,4-dihydropyridine;3,4-dihydro-2H-pyrrole is C1=CNC=CC1.C1=NCCC1.
What is the InChIKey of 1,4-dihydropyridine;3,4-dihydro-2H-pyrrole?
The InChIKey is UDINHZLZSYIQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C4H7N/c1-2-4-6-5-3-1;1-2-4-5-3-1/h2-6H,1H2;3H,1-2,4H2.
What are the key properties of 1,4-dihydropyridine;3,4-dihydro-2H-pyrrole?
1,4-dihydropyridine;3,4-dihydro-2H-pyrrole has a molecular weight of 150.22 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyridine;3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 174903845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).