2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde

C15H15NO — CID 53392369

IUPAC2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(C2=CCCCC2)[nH]c2ccccc12
InChIInChI=1S/C15H15NO/c17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11/h4-6,8-10,16H,1-3,7H2
InChIKeyFZPBMXSRGBYQFZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.94
Rot. Bonds2

About 2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde

2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde (PubChem CID 53392369) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde
PubChem CID53392369
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(C2=CCCCC2)[nH]c2ccccc12
InChIInChI=1S/C15H15NO/c17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11/h4-6,8-10,16H,1-3,7H2
InChIKeyFZPBMXSRGBYQFZ-UHFFFAOYSA-N
XLogP3.94
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde
CID 42580054
2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3268343
2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde
CID 82050108
2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 2771714
3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol
CID 2256128
2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde
CID 58794450
2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde
CID 115146211
2-(3-formyl-1H-indol-2-yl)acetic acid
CID 14636516
2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 4683666
2-(cyclopenten-1-yl)-1H-indol-4-ol
CID 67273711
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
1-(cyclodecen-1-yl)cyclodecene
CID 54296371

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde (CID 53392369) is 2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde is O=Cc1c(C2=CCCCC2)[nH]c2ccccc12.
What is the InChIKey of 2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde?
The InChIKey is FZPBMXSRGBYQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11/h4-6,8-10,16H,1-3,7H2.
What are the key properties of 2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde?
2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde has a molecular weight of 225.29 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 53392369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).