3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine

C17H17N3 — CID 11514478

IUPAC3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine
SMILESC=Cn1cccc1-c1cc(-c2ccc[nH]2)c(C)nc1C
InChIInChI=1S/C17H17N3/c1-4-20-10-6-8-17(20)15-11-14(12(2)19-13(15)3)16-7-5-9-18-16/h4-11,18H,1H2,2-3H3
InChIKeyBUWDDACMEKIIEA-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.26
Rot. Bonds3

About 3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine

3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine (PubChem CID 11514478) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine.

Molecular Properties

Compound Name3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine
PubChem CID11514478
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine
SMILESC=Cn1cccc1-c1cc(-c2ccc[nH]2)c(C)nc1C
InChIInChI=1S/C17H17N3/c1-4-20-10-6-8-17(20)15-11-14(12(2)19-13(15)3)16-7-5-9-18-16/h4-11,18H,1H2,2-3H3
InChIKeyBUWDDACMEKIIEA-UHFFFAOYSA-N
XLogP4.26
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Triprolidine
CID 5282443
N,N-Dimethyltryptamine
CID 6089
Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
Gramine
CID 6890
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071
Triprolidine Hydrochloride Anhydrous
CID 5702129
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine?
The IUPAC name of 3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine (CID 11514478) is 3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine.
What is the SMILES notation for 3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine?
The canonical SMILES for 3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine is C=Cn1cccc1-c1cc(-c2ccc[nH]2)c(C)nc1C.
What is the InChIKey of 3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine?
The InChIKey is BUWDDACMEKIIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-4-20-10-6-8-17(20)15-11-14(12(2)19-13(15)3)16-7-5-9-18-16/h4-11,18H,1H2,2-3H3.
What are the key properties of 3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine?
3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine has a molecular weight of 263.34 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethenylpyrrol-2-yl)-2,6-dimethyl-5-(1H-pyrrol-2-yl)pyridine is sourced from PubChem (CID 11514478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).