tert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate

C25H32N2O3 — CID 58433061

IUPACtert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate
SMILESCCCC1=CN=C(C2Cc3ccccc3N2C(=O)C2(CC(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C25H32N2O3/c1-5-8-17-13-19(26-16-17)21-14-18-9-6-7-10-20(18)27(21)23(29)25(11-12-25)15-22(28)30-24(2,3)4/h6-7,9-10,16,21H,5,8,11-15H2,1-4H3
InChIKeyDAFPZTSDYUIASY-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.99
Rot. Bonds6

About tert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate

tert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate (PubChem CID 58433061) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is tert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate
PubChem CID58433061
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Nametert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate
SMILESCCCC1=CN=C(C2Cc3ccccc3N2C(=O)C2(CC(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C25H32N2O3/c1-5-8-17-13-19(26-16-17)21-14-18-9-6-7-10-20(18)27(21)23(29)25(11-12-25)15-22(28)30-24(2,3)4/h6-7,9-10,16,21H,5,8,11-15H2,1-4H3
InChIKeyDAFPZTSDYUIASY-UHFFFAOYSA-N
XLogP4.99
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate?
The IUPAC name of tert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate (CID 58433061) is tert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate.
What is the SMILES notation for tert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate?
The canonical SMILES for tert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate is CCCC1=CN=C(C2Cc3ccccc3N2C(=O)C2(CC(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate?
The InChIKey is DAFPZTSDYUIASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-5-8-17-13-19(26-16-17)21-14-18-9-6-7-10-20(18)27(21)23(29)25(11-12-25)15-22(28)30-24(2,3)4/h6-7,9-10,16,21H,5,8,11-15H2,1-4H3.
What are the key properties of tert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate?
tert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate has a molecular weight of 408.54 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindole-1-carbonyl]cyclopropyl]acetate is sourced from PubChem (CID 58433061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).