(Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid

C19H19NO2 — CID 70895655

IUPAC(Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid
SMILESO=C(O)/C=C(/CCC1CNc2ccccc21)c1ccccc1
InChIInChI=1S/C19H19NO2/c21-19(22)12-15(14-6-2-1-3-7-14)10-11-16-13-20-18-9-5-4-8-17(16)18/h1-9,12,16,20H,10-11,13H2,(H,21,22)/b15-12-
InChIKeyAUXJFWFFJQIIGZ-QINSGFPZSA-N
MW293.37 g/mol
LogP4.14
Rot. Bonds5

About (Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid

(Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid (PubChem CID 70895655) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid.

Molecular Properties

Compound Name(Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid
PubChem CID70895655
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid
SMILESO=C(O)/C=C(/CCC1CNc2ccccc21)c1ccccc1
InChIInChI=1S/C19H19NO2/c21-19(22)12-15(14-6-2-1-3-7-14)10-11-16-13-20-18-9-5-4-8-17(16)18/h1-9,12,16,20H,10-11,13H2,(H,21,22)/b15-12-
InChIKeyAUXJFWFFJQIIGZ-QINSGFPZSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid?
The IUPAC name of (Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid (CID 70895655) is (Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid.
What is the SMILES notation for (Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid?
The canonical SMILES for (Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid is O=C(O)/C=C(/CCC1CNc2ccccc21)c1ccccc1.
What is the InChIKey of (Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid?
The InChIKey is AUXJFWFFJQIIGZ-QINSGFPZSA-N. The full InChI is InChI=1S/C19H19NO2/c21-19(22)12-15(14-6-2-1-3-7-14)10-11-16-13-20-18-9-5-4-8-17(16)18/h1-9,12,16,20H,10-11,13H2,(H,21,22)/b15-12-.
What are the key properties of (Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid?
(Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid has a molecular weight of 293.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid is sourced from PubChem (CID 70895655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).