1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole

C21H24N2 — CID 162730518

IUPAC1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole
SMILESC=C1C=C(C)C=CN1/C(C)=C(\C)c1cc2ccccc2n1CC
InChIInChI=1S/C21H24N2/c1-6-22-20-10-8-7-9-19(20)14-21(22)17(4)18(5)23-12-11-15(2)13-16(23)3/h7-14H,3,6H2,1-2,4-5H3/b18-17+
InChIKeyPRPFSCVIKXZJDF-ISLYRVAYSA-N
MW304.44 g/mol
LogP5.70
Rot. Bonds3

About 1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole

1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole (PubChem CID 162730518) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole.

Molecular Properties

Compound Name1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole
PubChem CID162730518
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole
SMILESC=C1C=C(C)C=CN1/C(C)=C(\C)c1cc2ccccc2n1CC
InChIInChI=1S/C21H24N2/c1-6-22-20-10-8-7-9-19(20)14-21(22)17(4)18(5)23-12-11-15(2)13-16(23)3/h7-14H,3,6H2,1-2,4-5H3/b18-17+
InChIKeyPRPFSCVIKXZJDF-ISLYRVAYSA-N
XLogP5.70
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole?
The IUPAC name of 1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole (CID 162730518) is 1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole.
What is the SMILES notation for 1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole?
The canonical SMILES for 1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole is C=C1C=C(C)C=CN1/C(C)=C(\C)c1cc2ccccc2n1CC.
What is the InChIKey of 1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole?
The InChIKey is PRPFSCVIKXZJDF-ISLYRVAYSA-N. The full InChI is InChI=1S/C21H24N2/c1-6-22-20-10-8-7-9-19(20)14-21(22)17(4)18(5)23-12-11-15(2)13-16(23)3/h7-14H,3,6H2,1-2,4-5H3/b18-17+.
What are the key properties of 1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole?
1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole has a molecular weight of 304.44 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(E)-3-(4-methyl-2-methylidene-1-pyridinyl)but-2-en-2-yl]indole is sourced from PubChem (CID 162730518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).