3,4-dihydro-2H-pyridine

C5H7N — CID 57113340

IUPAC3,4-dihydro-2H-pyridine
SMILESC1=CCCCN=1
InChIInChI=1S/C5H7N/c1-2-4-6-5-3-1/h2H,1,3,5H2
InChIKeyIPNUNWSIQYAWIF-UHFFFAOYSA-N
MW81.12 g/mol
LogP1.01
Rot. Bonds

About 3,4-dihydro-2H-pyridine

3,4-dihydro-2H-pyridine (PubChem CID 57113340) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyridine
PubChem CID57113340
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name3,4-dihydro-2H-pyridine
SMILESC1=CCCCN=1
InChIInChI=1S/C5H7N/c1-2-4-6-5-3-1/h2H,1,3,5H2
InChIKeyIPNUNWSIQYAWIF-UHFFFAOYSA-N
XLogP1.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyridine?
The IUPAC name of 3,4-dihydro-2H-pyridine (CID 57113340) is 3,4-dihydro-2H-pyridine.
What is the SMILES notation for 3,4-dihydro-2H-pyridine?
The canonical SMILES for 3,4-dihydro-2H-pyridine is C1=CCCCN=1.
What is the InChIKey of 3,4-dihydro-2H-pyridine?
The InChIKey is IPNUNWSIQYAWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-2-4-6-5-3-1/h2H,1,3,5H2.
What are the key properties of 3,4-dihydro-2H-pyridine?
3,4-dihydro-2H-pyridine has a molecular weight of 81.12 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyridine is sourced from PubChem (CID 57113340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).