5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine

C14H22N2 — CID 158763195

IUPAC5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCC1=CCN=C1C1=CCCN(C)C1
InChIInChI=1S/C14H22N2/c1-3-4-6-12-8-9-15-14(12)13-7-5-10-16(2)11-13/h7-8H,3-6,9-11H2,1-2H3
InChIKeySZMWVHJCZLTVQE-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.82
Rot. Bonds4

About 5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine

5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 158763195) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID158763195
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCC1=CCN=C1C1=CCCN(C)C1
InChIInChI=1S/C14H22N2/c1-3-4-6-12-8-9-15-14(12)13-7-5-10-16(2)11-13/h7-8H,3-6,9-11H2,1-2H3
InChIKeySZMWVHJCZLTVQE-UHFFFAOYSA-N
XLogP2.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 158763195) is 5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is CCCCC1=CCN=C1C1=CCCN(C)C1.
What is the InChIKey of 5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is SZMWVHJCZLTVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-4-6-12-8-9-15-14(12)13-7-5-10-16(2)11-13/h7-8H,3-6,9-11H2,1-2H3.
What are the key properties of 5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 218.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 158763195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).