1-ethyl-3,4-dihydro-2H-pyridine

C7H13N — CID 18356224

IUPAC1-ethyl-3,4-dihydro-2H-pyridine
SMILESCCN1C=CCCC1
InChIInChI=1S/C7H13N/c1-2-8-6-4-3-5-7-8/h4,6H,2-3,5,7H2,1H3
InChIKeyZSCHNRWMKSSDIH-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.62
Rot. Bonds1

About 1-ethyl-3,4-dihydro-2H-pyridine

1-ethyl-3,4-dihydro-2H-pyridine (PubChem CID 18356224) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-ethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-ethyl-3,4-dihydro-2H-pyridine
PubChem CID18356224
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-ethyl-3,4-dihydro-2H-pyridine
SMILESCCN1C=CCCC1
InChIInChI=1S/C7H13N/c1-2-8-6-4-3-5-7-8/h4,6H,2-3,5,7H2,1H3
InChIKeyZSCHNRWMKSSDIH-UHFFFAOYSA-N
XLogP1.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-ethyl-3,4-dihydro-2H-pyridine (CID 18356224) is 1-ethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-ethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-ethyl-3,4-dihydro-2H-pyridine is CCN1C=CCCC1.
What is the InChIKey of 1-ethyl-3,4-dihydro-2H-pyridine?
The InChIKey is ZSCHNRWMKSSDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-8-6-4-3-5-7-8/h4,6H,2-3,5,7H2,1H3.
What are the key properties of 1-ethyl-3,4-dihydro-2H-pyridine?
1-ethyl-3,4-dihydro-2H-pyridine has a molecular weight of 111.19 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 18356224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).