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

C6H11N — CID 10176095

IUPAC1-methyl-3,4-dihydro-2H-pyridine
SMILESCN1C=CCCC1
InChIInChI=1S/C6H11N/c1-7-5-3-2-4-6-7/h3,5H,2,4,6H2,1H3
InChIKeyUKPBWLDHWHLVFV-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.23
Rot. Bonds

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

1-methyl-3,4-dihydro-2H-pyridine (PubChem CID 10176095) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-3,4-dihydro-2H-pyridine
PubChem CID10176095
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1-methyl-3,4-dihydro-2H-pyridine
SMILESCN1C=CCCC1
InChIInChI=1S/C6H11N/c1-7-5-3-2-4-6-7/h3,5H,2,4,6H2,1H3
InChIKeyUKPBWLDHWHLVFV-UHFFFAOYSA-N
XLogP1.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-3,4-dihydro-2H-pyridine (CID 10176095) is 1-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-3,4-dihydro-2H-pyridine is CN1C=CCCC1.
What is the InChIKey of 1-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is UKPBWLDHWHLVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-7-5-3-2-4-6-7/h3,5H,2,4,6H2,1H3.
What are the key properties of 1-methyl-3,4-dihydro-2H-pyridine?
1-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 97.16 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 10176095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).