4-(5-ethoxyindol-1-yl)butanenitrile

C14H16N2O — CID 110830965

IUPAC4-(5-ethoxyindol-1-yl)butanenitrile
SMILESCCOc1ccc2c(ccn2CCCC#N)c1
InChIInChI=1S/C14H16N2O/c1-2-17-13-5-6-14-12(11-13)7-10-16(14)9-4-3-8-15/h5-7,10-11H,2-4,9H2,1H3
InChIKeyDJZHYJBNXZQEAD-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.34
Rot. Bonds5

About 4-(5-ethoxyindol-1-yl)butanenitrile

4-(5-ethoxyindol-1-yl)butanenitrile (PubChem CID 110830965) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(5-ethoxyindol-1-yl)butanenitrile.

Molecular Properties

Compound Name4-(5-ethoxyindol-1-yl)butanenitrile
PubChem CID110830965
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-(5-ethoxyindol-1-yl)butanenitrile
SMILESCCOc1ccc2c(ccn2CCCC#N)c1
InChIInChI=1S/C14H16N2O/c1-2-17-13-5-6-14-12(11-13)7-10-16(14)9-4-3-8-15/h5-7,10-11H,2-4,9H2,1H3
InChIKeyDJZHYJBNXZQEAD-UHFFFAOYSA-N
XLogP3.34
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-1-(3-methylbutyl)indole
CID 110830943
5-ethoxy-1-(3-ethylsulfonylpropyl)indole
CID 116623921
4-(5-ethoxyindol-1-yl)butan-2-ol
CID 116624097
1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
CID 110830948
N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine
CID 80643034
3-(5-ethoxyindol-1-yl)propanal
CID 80643533
4-[3-(5-ethoxyindol-1-yl)propoxy]benzoic acid
CID 110830964
4-(1-oxo-6-propoxyisoquinolin-2-yl)butanenitrile
CID 82152034
2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile
CID 116625622
4-(5-nitroindol-1-yl)butanenitrile
CID 116619168
1-(2-tert-butylsulfonylethyl)-5-ethoxyindole
CID 106731679
5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole
CID 116623986

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxyindol-1-yl)butanenitrile?
The IUPAC name of 4-(5-ethoxyindol-1-yl)butanenitrile (CID 110830965) is 4-(5-ethoxyindol-1-yl)butanenitrile.
What is the SMILES notation for 4-(5-ethoxyindol-1-yl)butanenitrile?
The canonical SMILES for 4-(5-ethoxyindol-1-yl)butanenitrile is CCOc1ccc2c(ccn2CCCC#N)c1.
What is the InChIKey of 4-(5-ethoxyindol-1-yl)butanenitrile?
The InChIKey is DJZHYJBNXZQEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-17-13-5-6-14-12(11-13)7-10-16(14)9-4-3-8-15/h5-7,10-11H,2-4,9H2,1H3.
What are the key properties of 4-(5-ethoxyindol-1-yl)butanenitrile?
4-(5-ethoxyindol-1-yl)butanenitrile has a molecular weight of 228.29 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxyindol-1-yl)butanenitrile is sourced from PubChem (CID 110830965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).