tert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate

C19H23NO4 — CID 141148110

IUPACtert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2cc(CCCC3OC=CO3)ccc21
InChIInChI=1S/C19H23NO4/c1-19(2,3)24-18(21)20-10-9-15-13-14(7-8-16(15)20)5-4-6-17-22-11-12-23-17/h7-13,17H,4-6H2,1-3H3
InChIKeyQQHSCTJADAFVBO-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.59
Rot. Bonds4

About tert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate

tert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate (PubChem CID 141148110) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate
PubChem CID141148110
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nametert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2cc(CCCC3OC=CO3)ccc21
InChIInChI=1S/C19H23NO4/c1-19(2,3)24-18(21)20-10-9-15-13-14(7-8-16(15)20)5-4-6-17-22-11-12-23-17/h7-13,17H,4-6H2,1-3H3
InChIKeyQQHSCTJADAFVBO-UHFFFAOYSA-N
XLogP4.59
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate 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

[5-[3-(1,3-dioxol-2-yl)propyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
CID 141148112
tert-butyl 5-(2-morpholin-4-ylethyl)indole-1-carboxylate
CID 66890074
tert-butyl 5-hydroxyindole-1-carboxylate
CID 22596220
tert-butyl 5-bromoindole-1-carboxylate
CID 76974567
tert-butyl 5-sulfanylindole-1-carboxylate
CID 67040248
tert-butyl 5-formylindole-1-carboxylate
CID 11172622
tert-butyl 6-(hydroxymethyl)indole-1-carboxylate
CID 23560816
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-5-yl]amino]-4-(2-phenylethyl)benzoic acid
CID 71021217
tert-butyl 5-prop-1-enylindole-1-carboxylate
CID 139578351
tert-butyl 5-(difluoromethyl)indole-1-carboxylate
CID 112757173
tert-butyl 6-(fluoromethyl)indole-1-carboxylate
CID 14616864
tert-butyl 5-carbamothioylindole-1-carboxylate
CID 76846579

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate?
The IUPAC name of tert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate (CID 141148110) is tert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate is CC(C)(C)OC(=O)n1ccc2cc(CCCC3OC=CO3)ccc21.
What is the InChIKey of tert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate?
The InChIKey is QQHSCTJADAFVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-19(2,3)24-18(21)20-10-9-15-13-14(7-8-16(15)20)5-4-6-17-22-11-12-23-17/h7-13,17H,4-6H2,1-3H3.
What are the key properties of tert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate?
tert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[3-(1,3-dioxol-2-yl)propyl]indole-1-carboxylate is sourced from PubChem (CID 141148110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).