9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate

C19H13NO2S — CID 142723689

IUPAC9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate
SMILESO=C(/C=C/c1ccsc1)Oc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C19H13NO2S/c21-19(8-5-13-9-10-23-12-13)22-14-6-7-18-16(11-14)15-3-1-2-4-17(15)20-18/h1-12,20H/b8-5+
InChIKeyMUHDXZCYOAXEDK-VMPITWQZSA-N
MW319.39 g/mol
LogP5.00
Rot. Bonds3

About 9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate

9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate (PubChem CID 142723689) has the molecular formula C19H13NO2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate.

Molecular Properties

Compound Name9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate
PubChem CID142723689
Molecular FormulaC19H13NO2S
Molecular Weight319.39 g/mol
Exact Mass319.07
IUPAC Name9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate
SMILESO=C(/C=C/c1ccsc1)Oc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C19H13NO2S/c21-19(8-5-13-9-10-23-12-13)22-14-6-7-18-16(11-14)15-3-1-2-4-17(15)20-18/h1-12,20H/b8-5+
InChIKeyMUHDXZCYOAXEDK-VMPITWQZSA-N
XLogP5.00
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 142723697
9H-carbazol-3-yl (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
CID 142723711
tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate
CID 11551058
9H-carbazol-3-yl benzoate
CID 142723701
methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 35026955
9H-carbazol-3-yloxy(oxo)borane
CID 91191414
[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 3-phenylprop-2-enoate
CID 78386718
(E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 122192252
(Z)-1-phenyl-3-thiophen-3-ylprop-2-en-1-one
CID 54608846
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7549866
[2-oxo-2-(4-phenoxyanilino)ethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7549863

Frequently Asked Questions

What is the IUPAC name of 9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate?
The IUPAC name of 9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate (CID 142723689) is 9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate.
What is the SMILES notation for 9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate?
The canonical SMILES for 9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate is O=C(/C=C/c1ccsc1)Oc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate?
The InChIKey is MUHDXZCYOAXEDK-VMPITWQZSA-N. The full InChI is InChI=1S/C19H13NO2S/c21-19(8-5-13-9-10-23-12-13)22-14-6-7-18-16(11-14)15-3-1-2-4-17(15)20-18/h1-12,20H/b8-5+.
What are the key properties of 9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate?
9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate has a molecular weight of 319.39 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate is sourced from PubChem (CID 142723689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).