4-(2-phenylethenyl)-1H-indole-3-carbaldehyde

C17H13NO — CID 54128147

IUPAC4-(2-phenylethenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2cccc(C=Cc3ccccc3)c12
InChIInChI=1S/C17H13NO/c19-12-15-11-18-16-8-4-7-14(17(15)16)10-9-13-5-2-1-3-6-13/h1-12,18H
InChIKeyNSKXIEUABLSJRE-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.15
Rot. Bonds3

About 4-(2-phenylethenyl)-1H-indole-3-carbaldehyde

4-(2-phenylethenyl)-1H-indole-3-carbaldehyde (PubChem CID 54128147) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(2-phenylethenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name4-(2-phenylethenyl)-1H-indole-3-carbaldehyde
PubChem CID54128147
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name4-(2-phenylethenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2cccc(C=Cc3ccccc3)c12
InChIInChI=1S/C17H13NO/c19-12-15-11-18-16-8-4-7-14(17(15)16)10-9-13-5-2-1-3-6-13/h1-12,18H
InChIKeyNSKXIEUABLSJRE-UHFFFAOYSA-N
XLogP4.15
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-oxobut-1-enyl)-1H-indole-3-carbaldehyde
CID 170482614
4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde
CID 169474327
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
(3-formyl-1H-indol-4-yl)thallium;bis(2,2,2-trifluoroacetic acid)
CID 11981962
1-(2-phenylethenyl)biphenylene
CID 142709250
2-[(E)-2-phenylethenyl]phenolate
CID 23105470
1,2-diiodo-3-(2-phenylethenyl)benzene
CID 70372286
3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid
CID 70472676
4,5-diiodo-1H-indole-3-carbaldehyde
CID 14059125
4-(1,2-dihydroxy-3-sulfanylpropyl)-1H-indole-3-carbaldehyde
CID 170820672
3-(4-chloro-1H-indol-3-yl)prop-2-enal
CID 169460196
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 4-(2-phenylethenyl)-1H-indole-3-carbaldehyde (CID 54128147) is 4-(2-phenylethenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 4-(2-phenylethenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 4-(2-phenylethenyl)-1H-indole-3-carbaldehyde is O=Cc1c[nH]c2cccc(C=Cc3ccccc3)c12.
What is the InChIKey of 4-(2-phenylethenyl)-1H-indole-3-carbaldehyde?
The InChIKey is NSKXIEUABLSJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c19-12-15-11-18-16-8-4-7-14(17(15)16)10-9-13-5-2-1-3-6-13/h1-12,18H.
What are the key properties of 4-(2-phenylethenyl)-1H-indole-3-carbaldehyde?
4-(2-phenylethenyl)-1H-indole-3-carbaldehyde has a molecular weight of 247.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 54128147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).