(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione

C29H30N2O2 — CID 157412830

IUPAC(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione
SMILESO=C(/C=C/c1cccnc1)CCCCCCC(=O)N1c2ccccc2CC1c1ccccc1
InChIInChI=1S/C29H30N2O2/c32-26(19-18-23-11-10-20-30-22-23)15-6-1-2-7-17-29(33)31-27-16-9-8-14-25(27)21-28(31)24-12-4-3-5-13-24/h3-5,8-14,16,18-20,22,28H,1-2,6-7,15,17,21H2/b19-18+
InChIKeyYKGMMWDSKBVZPJ-VHEBQXMUSA-N
MW438.57 g/mol
LogP6.34
Rot. Bonds10

About (E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione

(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione (PubChem CID 157412830) has the molecular formula C29H30N2O2 and a molecular weight of 438.57 g/mol. Its IUPAC name is (E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione.

Molecular Properties

Compound Name(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione
PubChem CID157412830
Molecular FormulaC29H30N2O2
Molecular Weight438.57 g/mol
Exact Mass438.23
IUPAC Name(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione
SMILESO=C(/C=C/c1cccnc1)CCCCCCC(=O)N1c2ccccc2CC1c1ccccc1
InChIInChI=1S/C29H30N2O2/c32-26(19-18-23-11-10-20-30-22-23)15-6-1-2-7-17-29(33)31-27-16-9-8-14-25(27)21-28(31)24-12-4-3-5-13-24/h3-5,8-14,16,18-20,22,28H,1-2,6-7,15,17,21H2/b19-18+
InChIKeyYKGMMWDSKBVZPJ-VHEBQXMUSA-N
XLogP6.34
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione?
The IUPAC name of (E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione (CID 157412830) is (E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione.
What is the SMILES notation for (E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione?
The canonical SMILES for (E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione is O=C(/C=C/c1cccnc1)CCCCCCC(=O)N1c2ccccc2CC1c1ccccc1.
What is the InChIKey of (E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione?
The InChIKey is YKGMMWDSKBVZPJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C29H30N2O2/c32-26(19-18-23-11-10-20-30-22-23)15-6-1-2-7-17-29(33)31-27-16-9-8-14-25(27)21-28(31)24-12-4-3-5-13-24/h3-5,8-14,16,18-20,22,28H,1-2,6-7,15,17,21H2/b19-18+.
What are the key properties of (E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione?
(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione has a molecular weight of 438.57 g/mol, XLogP of 6.34, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione is sourced from PubChem (CID 157412830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).