(1-butylindol-3-yl) propanoate

C15H19NO2 — CID 174769322

IUPAC(1-butylindol-3-yl) propanoate
SMILESCCCCn1cc(OC(=O)CC)c2ccccc21
InChIInChI=1S/C15H19NO2/c1-3-5-10-16-11-14(18-15(17)4-2)12-8-6-7-9-13(12)16/h6-9,11H,3-5,10H2,1-2H3
InChIKeyRMMNPYUWNIRAJN-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.76
Rot. Bonds5

About (1-butylindol-3-yl) propanoate

(1-butylindol-3-yl) propanoate (PubChem CID 174769322) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1-butylindol-3-yl) propanoate.

Molecular Properties

Compound Name(1-butylindol-3-yl) propanoate
PubChem CID174769322
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1-butylindol-3-yl) propanoate
SMILESCCCCn1cc(OC(=O)CC)c2ccccc21
InChIInChI=1S/C15H19NO2/c1-3-5-10-16-11-14(18-15(17)4-2)12-8-6-7-9-13(12)16/h6-9,11H,3-5,10H2,1-2H3
InChIKeyRMMNPYUWNIRAJN-UHFFFAOYSA-N
XLogP3.76
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-butylindol-3-yl) propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-butylindol-3-yl)propanedioyl dichloride
CID 156786445
ethyl 1-hexyl-4-sulfanylidenequinoline-3-carboxylate
CID 129111778
1-butyl-3-(4-methoxybenzoyl)quinolin-4-one
CID 23634666
isoquinolin-4-yl 1-pentylindole-3-carboxylate
CID 124518753
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 45267043
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392
(2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 11268746
6-bromo-1-(1-butylindol-3-yl)hexan-1-one
CID 54167344
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
CID 70686044
ethyl 4-(3-tridecanoylindol-1-yl)butanoate
CID 22400496
ethyl 4-(3-dodecanoylindol-1-yl)butanoate
CID 22400499
N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide
CID 142212830

Frequently Asked Questions

What is the IUPAC name of (1-butylindol-3-yl) propanoate?
The IUPAC name of (1-butylindol-3-yl) propanoate (CID 174769322) is (1-butylindol-3-yl) propanoate.
What is the SMILES notation for (1-butylindol-3-yl) propanoate?
The canonical SMILES for (1-butylindol-3-yl) propanoate is CCCCn1cc(OC(=O)CC)c2ccccc21.
What is the InChIKey of (1-butylindol-3-yl) propanoate?
The InChIKey is RMMNPYUWNIRAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-5-10-16-11-14(18-15(17)4-2)12-8-6-7-9-13(12)16/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of (1-butylindol-3-yl) propanoate?
(1-butylindol-3-yl) propanoate has a molecular weight of 245.32 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylindol-3-yl) propanoate is sourced from PubChem (CID 174769322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).