4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine

C9H13N3 — CID 10678575

IUPAC4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(n2ccnc2)CC1
InChIInChI=1S/C9H13N3/c1-11-5-2-9(3-6-11)12-7-4-10-8-12/h2,4,7-8H,3,5-6H2,1H3
InChIKeyAPNYXLIAUGUVRR-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.06
Rot. Bonds1

About 4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine

4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 10678575) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID10678575
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(n2ccnc2)CC1
InChIInChI=1S/C9H13N3/c1-11-5-2-9(3-6-11)12-7-4-10-8-12/h2,4,7-8H,3,5-6H2,1H3
InChIKeyAPNYXLIAUGUVRR-UHFFFAOYSA-N
XLogP1.06
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine (CID 10678575) is 4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine is CN1CC=C(n2ccnc2)CC1.
What is the InChIKey of 4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is APNYXLIAUGUVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-11-5-2-9(3-6-11)12-7-4-10-8-12/h2,4,7-8H,3,5-6H2,1H3.
What are the key properties of 4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine?
4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 163.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10678575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).