1-(4-methoxybutyl)indole-6-carbaldehyde

C14H17NO2 — CID 102910948

IUPAC1-(4-methoxybutyl)indole-6-carbaldehyde
SMILESCOCCCCn1ccc2ccc(C=O)cc21
InChIInChI=1S/C14H17NO2/c1-17-9-3-2-7-15-8-6-13-5-4-12(11-16)10-14(13)15/h4-6,8,10-11H,2-3,7,9H2,1H3
InChIKeyLKLWCPYFEXJROW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.88
Rot. Bonds6

About 1-(4-methoxybutyl)indole-6-carbaldehyde

1-(4-methoxybutyl)indole-6-carbaldehyde (PubChem CID 102910948) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(4-methoxybutyl)indole-6-carbaldehyde.

Molecular Properties

Compound Name1-(4-methoxybutyl)indole-6-carbaldehyde
PubChem CID102910948
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(4-methoxybutyl)indole-6-carbaldehyde
SMILESCOCCCCn1ccc2ccc(C=O)cc21
InChIInChI=1S/C14H17NO2/c1-17-9-3-2-7-15-8-6-13-5-4-12(11-16)10-14(13)15/h4-6,8,10-11H,2-3,7,9H2,1H3
InChIKeyLKLWCPYFEXJROW-UHFFFAOYSA-N
XLogP2.88
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde
CID 102911359
1-butylindole-6-carbaldehyde
CID 102910960
1-(5-hydroxypentyl)indole-6-carbaldehyde
CID 102911097
1-(3-hydroxypropyl)indole-6-carbaldehyde
CID 102911092
1-[3-(dimethylamino)propyl]indole-6-carbaldehyde
CID 102911050
1-(4-phenylbutyl)indole-6-carbaldehyde
CID 102910951
1-(3-methoxypropyl)indol-6-amine
CID 58005499
1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde
CID 102911175
1-[(E)-but-2-enyl]indole-6-carbaldehyde
CID 102910985
2-(6-formylindol-1-yl)acetamide
CID 28958282
1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde
CID 102910928
[1-(4-methoxybutyl)indol-5-yl]methanol
CID 102912647

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)indole-6-carbaldehyde?
The IUPAC name of 1-(4-methoxybutyl)indole-6-carbaldehyde (CID 102910948) is 1-(4-methoxybutyl)indole-6-carbaldehyde.
What is the SMILES notation for 1-(4-methoxybutyl)indole-6-carbaldehyde?
The canonical SMILES for 1-(4-methoxybutyl)indole-6-carbaldehyde is COCCCCn1ccc2ccc(C=O)cc21.
What is the InChIKey of 1-(4-methoxybutyl)indole-6-carbaldehyde?
The InChIKey is LKLWCPYFEXJROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-9-3-2-7-15-8-6-13-5-4-12(11-16)10-14(13)15/h4-6,8,10-11H,2-3,7,9H2,1H3.
What are the key properties of 1-(4-methoxybutyl)indole-6-carbaldehyde?
1-(4-methoxybutyl)indole-6-carbaldehyde has a molecular weight of 231.30 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)indole-6-carbaldehyde is sourced from PubChem (CID 102910948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).