5-(4-ethoxyindol-1-yl)pentan-2-one

C15H19NO2 — CID 83163108

IUPAC5-(4-ethoxyindol-1-yl)pentan-2-one
SMILESCCOc1cccc2c1ccn2CCCC(C)=O
InChIInChI=1S/C15H19NO2/c1-3-18-15-8-4-7-14-13(15)9-11-16(14)10-5-6-12(2)17/h4,7-9,11H,3,5-6,10H2,1-2H3
InChIKeyDWPSKCUNAZJBCF-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.41
Rot. Bonds6

About 5-(4-ethoxyindol-1-yl)pentan-2-one

5-(4-ethoxyindol-1-yl)pentan-2-one (PubChem CID 83163108) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-(4-ethoxyindol-1-yl)pentan-2-one.

Molecular Properties

Compound Name5-(4-ethoxyindol-1-yl)pentan-2-one
PubChem CID83163108
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-(4-ethoxyindol-1-yl)pentan-2-one
SMILESCCOc1cccc2c1ccn2CCCC(C)=O
InChIInChI=1S/C15H19NO2/c1-3-18-15-8-4-7-14-13(15)9-11-16(14)10-5-6-12(2)17/h4,7-9,11H,3,5-6,10H2,1-2H3
InChIKeyDWPSKCUNAZJBCF-UHFFFAOYSA-N
XLogP3.41
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyindol-1-yl)ethanol
CID 83174332
2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473
4-(4-ethoxyindol-1-yl)-2,2-dimethylbutanoic acid
CID 83162756
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide
CID 83174508
2-(4-ethoxyindol-1-yl)-N-ethylacetamide
CID 83173518
3-(4-propoxyindol-1-yl)propanoic acid
CID 83163575
4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83173234
3-(4-propoxyindol-1-yl)propanamide
CID 83173818
1-(3-ethoxypropyl)-4-propoxyindole
CID 83173539
4-ethoxy-1-(2-thiophen-3-ylethyl)indole
CID 83173883

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyindol-1-yl)pentan-2-one?
The IUPAC name of 5-(4-ethoxyindol-1-yl)pentan-2-one (CID 83163108) is 5-(4-ethoxyindol-1-yl)pentan-2-one.
What is the SMILES notation for 5-(4-ethoxyindol-1-yl)pentan-2-one?
The canonical SMILES for 5-(4-ethoxyindol-1-yl)pentan-2-one is CCOc1cccc2c1ccn2CCCC(C)=O.
What is the InChIKey of 5-(4-ethoxyindol-1-yl)pentan-2-one?
The InChIKey is DWPSKCUNAZJBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-18-15-8-4-7-14-13(15)9-11-16(14)10-5-6-12(2)17/h4,7-9,11H,3,5-6,10H2,1-2H3.
What are the key properties of 5-(4-ethoxyindol-1-yl)pentan-2-one?
5-(4-ethoxyindol-1-yl)pentan-2-one has a molecular weight of 245.32 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyindol-1-yl)pentan-2-one is sourced from PubChem (CID 83163108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).