1-(5-hydroxypentyl)indole-6-carbaldehyde

C14H17NO2 — CID 102911097

IUPAC1-(5-hydroxypentyl)indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(CCCCCO)c2c1
InChIInChI=1S/C14H17NO2/c16-9-3-1-2-7-15-8-6-13-5-4-12(11-17)10-14(13)15/h4-6,8,10-11,16H,1-3,7,9H2
InChIKeyFWZCMDLZEGRNRL-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.62
Rot. Bonds6

About 1-(5-hydroxypentyl)indole-6-carbaldehyde

1-(5-hydroxypentyl)indole-6-carbaldehyde (PubChem CID 102911097) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)indole-6-carbaldehyde.

Molecular Properties

Compound Name1-(5-hydroxypentyl)indole-6-carbaldehyde
PubChem CID102911097
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(5-hydroxypentyl)indole-6-carbaldehyde
SMILESO=Cc1ccc2ccn(CCCCCO)c2c1
InChIInChI=1S/C14H17NO2/c16-9-3-1-2-7-15-8-6-13-5-4-12(11-17)10-14(13)15/h4-6,8,10-11,16H,1-3,7,9H2
InChIKeyFWZCMDLZEGRNRL-UHFFFAOYSA-N
XLogP2.62
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
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-(3-hydroxypropyl)indole-6-carbaldehyde
CID 102911092
1-butylindole-6-carbaldehyde
CID 102910960
1-(4-methoxybutyl)indole-6-carbaldehyde
CID 102910948
1-(4-phenylbutyl)indole-6-carbaldehyde
CID 102910951
1-[3-(dimethylamino)propyl]indole-6-carbaldehyde
CID 102911050
2-(6-formylindol-1-yl)acetamide
CID 28958282
4-(6-bromoindol-1-yl)butan-1-ol
CID 116621821
1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde
CID 102911175
1-[2-(2-methoxyethoxy)ethyl]indole-6-carbaldehyde
CID 102911359
1-hept-6-enylindole-5-carbaldehyde
CID 107008123
1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde
CID 102911304
1-[(E)-but-2-enyl]indole-6-carbaldehyde
CID 102910985

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentyl)indole-6-carbaldehyde?
The IUPAC name of 1-(5-hydroxypentyl)indole-6-carbaldehyde (CID 102911097) is 1-(5-hydroxypentyl)indole-6-carbaldehyde.
What is the SMILES notation for 1-(5-hydroxypentyl)indole-6-carbaldehyde?
The canonical SMILES for 1-(5-hydroxypentyl)indole-6-carbaldehyde is O=Cc1ccc2ccn(CCCCCO)c2c1.
What is the InChIKey of 1-(5-hydroxypentyl)indole-6-carbaldehyde?
The InChIKey is FWZCMDLZEGRNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-9-3-1-2-7-15-8-6-13-5-4-12(11-17)10-14(13)15/h4-6,8,10-11,16H,1-3,7,9H2.
What are the key properties of 1-(5-hydroxypentyl)indole-6-carbaldehyde?
1-(5-hydroxypentyl)indole-6-carbaldehyde has a molecular weight of 231.30 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)indole-6-carbaldehyde is sourced from PubChem (CID 102911097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).