3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine

C17H24N2 — CID 130389863

IUPAC3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine
SMILESC=CC1=C(CC)C(=C)N(C(C)C2=CC(C)=CNC2)C1
InChIInChI=1S/C17H24N2/c1-6-15-11-19(14(5)17(15)7-2)13(4)16-8-12(3)9-18-10-16/h6,8-9,13,18H,1,5,7,10-11H2,2-4H3
InChIKeyQXAIVSPEMWFATC-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.53
Rot. Bonds4

About 3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine

3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine (PubChem CID 130389863) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine
PubChem CID130389863
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine
SMILESC=CC1=C(CC)C(=C)N(C(C)C2=CC(C)=CNC2)C1
InChIInChI=1S/C17H24N2/c1-6-15-11-19(14(5)17(15)7-2)13(4)16-8-12(3)9-18-10-16/h6,8-9,13,18H,1,5,7,10-11H2,2-4H3
InChIKeyQXAIVSPEMWFATC-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine?
The IUPAC name of 3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine (CID 130389863) is 3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine.
What is the SMILES notation for 3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine?
The canonical SMILES for 3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine is C=CC1=C(CC)C(=C)N(C(C)C2=CC(C)=CNC2)C1.
What is the InChIKey of 3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine?
The InChIKey is QXAIVSPEMWFATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-6-15-11-19(14(5)17(15)7-2)13(4)16-8-12(3)9-18-10-16/h6,8-9,13,18H,1,5,7,10-11H2,2-4H3.
What are the key properties of 3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine?
3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine has a molecular weight of 256.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethenyl-4-ethyl-5-methylidene-2H-pyrrol-1-yl)ethyl]-5-methyl-1,2-dihydropyridine is sourced from PubChem (CID 130389863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).