tert-butyl 3-(7-chloroindol-1-yl)propanoate

C15H18ClNO2 — CID 103474201

IUPACtert-butyl 3-(7-chloroindol-1-yl)propanoate
SMILESCC(C)(C)OC(=O)CCn1ccc2cccc(Cl)c21
InChIInChI=1S/C15H18ClNO2/c1-15(2,3)19-13(18)8-10-17-9-7-11-5-4-6-12(16)14(11)17/h4-7,9H,8,10H2,1-3H3
InChIKeyVAXJDHRTPFNLGU-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.03
Rot. Bonds3

About tert-butyl 3-(7-chloroindol-1-yl)propanoate

tert-butyl 3-(7-chloroindol-1-yl)propanoate (PubChem CID 103474201) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is tert-butyl 3-(7-chloroindol-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(7-chloroindol-1-yl)propanoate
PubChem CID103474201
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Nametert-butyl 3-(7-chloroindol-1-yl)propanoate
SMILESCC(C)(C)OC(=O)CCn1ccc2cccc(Cl)c21
InChIInChI=1S/C15H18ClNO2/c1-15(2,3)19-13(18)8-10-17-9-7-11-5-4-6-12(16)14(11)17/h4-7,9H,8,10H2,1-3H3
InChIKeyVAXJDHRTPFNLGU-UHFFFAOYSA-N
XLogP4.03
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(7-chloroindol-1-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

ethyl 6-(7-chloroindol-1-yl)hexanoate
CID 103474240
6-(7-chloroindol-1-yl)hexan-3-one
CID 106801891
7-chloro-1-(2-methoxyethyl)indole
CID 103474736
7-chloro-1-(4-methoxybutyl)indole
CID 103475434
N-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine
CID 103474608
7-chloro-1-decylindole
CID 103474775
1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrrole-2-carboxylic acid
CID 169049364
tert-butyl 3-(4-methoxyindol-1-yl)propanoate
CID 116662779
2-(7-chloroindol-1-yl)-N,N-diethylethanamine
CID 103475461
2-(7-chloroindol-1-yl)-N-ethylethanamine
CID 103474607
4-(7-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one
CID 103474546
7-chloro-1-(2-methylprop-2-enyl)indole
CID 103474876

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(7-chloroindol-1-yl)propanoate?
The IUPAC name of tert-butyl 3-(7-chloroindol-1-yl)propanoate (CID 103474201) is tert-butyl 3-(7-chloroindol-1-yl)propanoate.
What is the SMILES notation for tert-butyl 3-(7-chloroindol-1-yl)propanoate?
The canonical SMILES for tert-butyl 3-(7-chloroindol-1-yl)propanoate is CC(C)(C)OC(=O)CCn1ccc2cccc(Cl)c21.
What is the InChIKey of tert-butyl 3-(7-chloroindol-1-yl)propanoate?
The InChIKey is VAXJDHRTPFNLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-15(2,3)19-13(18)8-10-17-9-7-11-5-4-6-12(16)14(11)17/h4-7,9H,8,10H2,1-3H3.
What are the key properties of tert-butyl 3-(7-chloroindol-1-yl)propanoate?
tert-butyl 3-(7-chloroindol-1-yl)propanoate has a molecular weight of 279.77 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(7-chloroindol-1-yl)propanoate is sourced from PubChem (CID 103474201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).