2-indol-1-yldecanal

C18H25NO — CID 175134329

IUPAC2-indol-1-yldecanal
SMILESCCCCCCCCC(C=O)n1ccc2ccccc21
InChIInChI=1S/C18H25NO/c1-2-3-4-5-6-7-11-17(15-20)19-14-13-16-10-8-9-12-18(16)19/h8-10,12-15,17H,2-7,11H2,1H3
InChIKeyKKGDHXIERWDEJA-UHFFFAOYSA-N
MW271.40 g/mol
LogP5.13
Rot. Bonds9

About 2-indol-1-yldecanal

2-indol-1-yldecanal (PubChem CID 175134329) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-indol-1-yldecanal.

Molecular Properties

Compound Name2-indol-1-yldecanal
PubChem CID175134329
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-indol-1-yldecanal
SMILESCCCCCCCCC(C=O)n1ccc2ccccc21
InChIInChI=1S/C18H25NO/c1-2-3-4-5-6-7-11-17(15-20)19-14-13-16-10-8-9-12-18(16)19/h8-10,12-15,17H,2-7,11H2,1H3
InChIKeyKKGDHXIERWDEJA-UHFFFAOYSA-N
XLogP5.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[1-(4-methylphenyl)pentyl]indole
CID 56986227
1-[(2S)-butan-2-yl]indole
CID 124507288
1-indol-1-yloctadecan-1-one
CID 58661273
2-undecylpropanedial
CID 20505732
2-phenoxyundecanal
CID 57130450
ethyl 2-[(1-amino-2-indol-1-ylethylidene)amino]heptanoate
CID 163842473
1-[2-(triazol-1-ylmethyl)heptyl]indole
CID 57121388
butyl indol-1-yl carbonate
CID 67701904
N-butan-2-yl-2-indol-1-ylpropanamide
CID 113233604
9-(1-bromooctyl)carbazole
CID 174909531
1-phenylnonyl formate
CID 174585088
5,10-di(heptadecan-9-yl)indolo[3,2-b]indole
CID 121344575

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yldecanal?
The IUPAC name of 2-indol-1-yldecanal (CID 175134329) is 2-indol-1-yldecanal.
What is the SMILES notation for 2-indol-1-yldecanal?
The canonical SMILES for 2-indol-1-yldecanal is CCCCCCCCC(C=O)n1ccc2ccccc21.
What is the InChIKey of 2-indol-1-yldecanal?
The InChIKey is KKGDHXIERWDEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-3-4-5-6-7-11-17(15-20)19-14-13-16-10-8-9-12-18(16)19/h8-10,12-15,17H,2-7,11H2,1H3.
What are the key properties of 2-indol-1-yldecanal?
2-indol-1-yldecanal has a molecular weight of 271.40 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yldecanal is sourced from PubChem (CID 175134329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).