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

C20H30N2 — CID 130390246

IUPAC2-ethyl-3-[3-ethyl-5-methylidene-4-[(Z)-pent-1-enyl]-2H-pyrrol-1-yl]-5-methyl-1,2-dihydropyridine
SMILESC=C1C(/C=C\CCC)=C(CC)CN1C1=CC(C)=CNC1CC
InChIInChI=1S/C20H30N2/c1-6-9-10-11-18-16(5)22(14-17(18)7-2)20-12-15(4)13-21-19(20)8-3/h10-13,19,21H,5-9,14H2,1-4H3/b11-10-
InChIKeyCUJHECKCNVSQGL-KHPPLWFESA-N
MW298.47 g/mol
LogP5.05
Rot. Bonds6

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

2-ethyl-3-[3-ethyl-5-methylidene-4-[(Z)-pent-1-enyl]-2H-pyrrol-1-yl]-5-methyl-1,2-dihydropyridine (PubChem CID 130390246) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-ethyl-3-[3-ethyl-5-methylidene-4-[(Z)-pent-1-enyl]-2H-pyrrol-1-yl]-5-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-ethyl-3-[3-ethyl-5-methylidene-4-[(Z)-pent-1-enyl]-2H-pyrrol-1-yl]-5-methyl-1,2-dihydropyridine
PubChem CID130390246
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name2-ethyl-3-[3-ethyl-5-methylidene-4-[(Z)-pent-1-enyl]-2H-pyrrol-1-yl]-5-methyl-1,2-dihydropyridine
SMILESC=C1C(/C=C\CCC)=C(CC)CN1C1=CC(C)=CNC1CC
InChIInChI=1S/C20H30N2/c1-6-9-10-11-18-16(5)22(14-17(18)7-2)20-12-15(4)13-21-19(20)8-3/h10-13,19,21H,5-9,14H2,1-4H3/b11-10-
InChIKeyCUJHECKCNVSQGL-KHPPLWFESA-N
XLogP5.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[3-ethyl-5-methylidene-4-[(Z)-pent-1-enyl]-2H-pyrrol-1-yl]-5-methyl-1,2-dihydropyridine?
The IUPAC name of 2-ethyl-3-[3-ethyl-5-methylidene-4-[(Z)-pent-1-enyl]-2H-pyrrol-1-yl]-5-methyl-1,2-dihydropyridine (CID 130390246) is 2-ethyl-3-[3-ethyl-5-methylidene-4-[(Z)-pent-1-enyl]-2H-pyrrol-1-yl]-5-methyl-1,2-dihydropyridine.
What is the SMILES notation for 2-ethyl-3-[3-ethyl-5-methylidene-4-[(Z)-pent-1-enyl]-2H-pyrrol-1-yl]-5-methyl-1,2-dihydropyridine?
The canonical SMILES for 2-ethyl-3-[3-ethyl-5-methylidene-4-[(Z)-pent-1-enyl]-2H-pyrrol-1-yl]-5-methyl-1,2-dihydropyridine is C=C1C(/C=C\CCC)=C(CC)CN1C1=CC(C)=CNC1CC.
What is the InChIKey of 2-ethyl-3-[3-ethyl-5-methylidene-4-[(Z)-pent-1-enyl]-2H-pyrrol-1-yl]-5-methyl-1,2-dihydropyridine?
The InChIKey is CUJHECKCNVSQGL-KHPPLWFESA-N. The full InChI is InChI=1S/C20H30N2/c1-6-9-10-11-18-16(5)22(14-17(18)7-2)20-12-15(4)13-21-19(20)8-3/h10-13,19,21H,5-9,14H2,1-4H3/b11-10-.
What are the key properties of 2-ethyl-3-[3-ethyl-5-methylidene-4-[(Z)-pent-1-enyl]-2H-pyrrol-1-yl]-5-methyl-1,2-dihydropyridine?
2-ethyl-3-[3-ethyl-5-methylidene-4-[(Z)-pent-1-enyl]-2H-pyrrol-1-yl]-5-methyl-1,2-dihydropyridine has a molecular weight of 298.47 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[3-ethyl-5-methylidene-4-[(Z)-pent-1-enyl]-2H-pyrrol-1-yl]-5-methyl-1,2-dihydropyridine is sourced from PubChem (CID 130390246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).