1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine

C27H26N2 — CID 132561011

IUPAC1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCC1CC(/C(=C/c2ccccc2)c2ccccc2)=C(N2CCc3cccnc32)C1
InChIInChI=1S/C27H26N2/c1-20-17-25(26(18-20)29-16-14-23-13-8-15-28-27(23)29)24(22-11-6-3-7-12-22)19-21-9-4-2-5-10-21/h2-13,15,19-20H,14,16-18H2,1H3/b24-19+
InChIKeyOFEHIDHEUKKULL-LYBHJNIJSA-N
MW378.52 g/mol
LogP6.37
Rot. Bonds4

About 1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine

1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine (PubChem CID 132561011) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine
PubChem CID132561011
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCC1CC(/C(=C/c2ccccc2)c2ccccc2)=C(N2CCc3cccnc32)C1
InChIInChI=1S/C27H26N2/c1-20-17-25(26(18-20)29-16-14-23-13-8-15-28-27(23)29)24(22-11-6-3-7-12-22)19-21-9-4-2-5-10-21/h2-13,15,19-20H,14,16-18H2,1H3/b24-19+
InChIKeyOFEHIDHEUKKULL-LYBHJNIJSA-N
XLogP6.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine (CID 132561011) is 1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine is CC1CC(/C(=C/c2ccccc2)c2ccccc2)=C(N2CCc3cccnc32)C1.
What is the InChIKey of 1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is OFEHIDHEUKKULL-LYBHJNIJSA-N. The full InChI is InChI=1S/C27H26N2/c1-20-17-25(26(18-20)29-16-14-23-13-8-15-28-27(23)29)24(22-11-6-3-7-12-22)19-21-9-4-2-5-10-21/h2-13,15,19-20H,14,16-18H2,1H3/b24-19+.
What are the key properties of 1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine?
1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 378.52 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-1,2-diphenylethenyl]-4-methylcyclopenten-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 132561011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).