1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde

C18H15NO — CID 102910664

IUPAC1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2C/C=C/c2ccccc2)c1
InChIInChI=1S/C18H15NO/c20-14-16-8-9-18-17(13-16)10-12-19(18)11-4-7-15-5-2-1-3-6-15/h1-10,12-14H,11H2/b7-4+
InChIKeyGRPHCYCIZJWJBG-QPJJXVBHSA-N
MW261.32 g/mol
LogP4.17
Rot. Bonds4

About 1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde

1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde (PubChem CID 102910664) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde
PubChem CID102910664
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2C/C=C/c2ccccc2)c1
InChIInChI=1S/C18H15NO/c20-14-16-8-9-18-17(13-16)10-12-19(18)11-4-7-15-5-2-1-3-6-15/h1-10,12-14H,11H2/b7-4+
InChIKeyGRPHCYCIZJWJBG-QPJJXVBHSA-N
XLogP4.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[(E)-3-phenylprop-2-enyl]indol-5-yl]methanol
CID 102912656
1-[(E)-but-2-enyl]indole-6-carbaldehyde
CID 102910985
1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde
CID 102910670
1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
CID 17221163
1-[(2-nitrophenyl)methyl]indole-5-carbaldehyde
CID 102910453
1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde
CID 102910740
1-(2-methylbutyl)indole-5-carbaldehyde
CID 102910471
methyl 2-(5-formylindol-1-yl)acetate
CID 102910523
1-(cyclohexylmethyl)indole-5-carbaldehyde
CID 102910537
1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde
CID 102910646
1-hept-6-enylindole-5-carbaldehyde
CID 107008123
1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine
CID 135062929

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde (CID 102910664) is 1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde is O=Cc1ccc2c(ccn2C/C=C/c2ccccc2)c1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde?
The InChIKey is GRPHCYCIZJWJBG-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H15NO/c20-14-16-8-9-18-17(13-16)10-12-19(18)11-4-7-15-5-2-1-3-6-15/h1-10,12-14H,11H2/b7-4+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde?
1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde has a molecular weight of 261.32 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde is sourced from PubChem (CID 102910664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).