1-(2-methylbutyl)indole-5-carbaldehyde

C14H17NO — CID 102910471

IUPAC1-(2-methylbutyl)indole-5-carbaldehyde
SMILESCCC(C)Cn1ccc2cc(C=O)ccc21
InChIInChI=1S/C14H17NO/c1-3-11(2)9-15-7-6-13-8-12(10-16)4-5-14(13)15/h4-8,10-11H,3,9H2,1-2H3
InChIKeyFCEMLLIBULJTKE-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.50
Rot. Bonds4

About 1-(2-methylbutyl)indole-5-carbaldehyde

1-(2-methylbutyl)indole-5-carbaldehyde (PubChem CID 102910471) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(2-methylbutyl)indole-5-carbaldehyde.

Molecular Properties

Compound Name1-(2-methylbutyl)indole-5-carbaldehyde
PubChem CID102910471
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(2-methylbutyl)indole-5-carbaldehyde
SMILESCCC(C)Cn1ccc2cc(C=O)ccc21
InChIInChI=1S/C14H17NO/c1-3-11(2)9-15-7-6-13-8-12(10-16)4-5-14(13)15/h4-8,10-11H,3,9H2,1-2H3
InChIKeyFCEMLLIBULJTKE-UHFFFAOYSA-N
XLogP3.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.50
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

5-methoxy-1-(2-methylbutyl)indole
CID 116619323
1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde
CID 102910740
1-(2-methylbutyl)-5-propoxyindole
CID 116625570
N-ethyl-2-(5-formylindol-1-yl)acetamide
CID 102910515
methyl 2-(5-formylindol-1-yl)acetate
CID 102910523
1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole-5-carbaldehyde
CID 102910715
1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
CID 17221163
1-hept-6-enylindole-5-carbaldehyde
CID 107008123
1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde
CID 102910670
1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde
CID 102910664
1-(cyclohexylmethyl)indole-5-carbaldehyde
CID 102910537
1-[2-(trifluoromethoxy)ethyl]indole-5-carbaldehyde
CID 102910646

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)indole-5-carbaldehyde?
The IUPAC name of 1-(2-methylbutyl)indole-5-carbaldehyde (CID 102910471) is 1-(2-methylbutyl)indole-5-carbaldehyde.
What is the SMILES notation for 1-(2-methylbutyl)indole-5-carbaldehyde?
The canonical SMILES for 1-(2-methylbutyl)indole-5-carbaldehyde is CCC(C)Cn1ccc2cc(C=O)ccc21.
What is the InChIKey of 1-(2-methylbutyl)indole-5-carbaldehyde?
The InChIKey is FCEMLLIBULJTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-11(2)9-15-7-6-13-8-12(10-16)4-5-14(13)15/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of 1-(2-methylbutyl)indole-5-carbaldehyde?
1-(2-methylbutyl)indole-5-carbaldehyde has a molecular weight of 215.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)indole-5-carbaldehyde is sourced from PubChem (CID 102910471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).