tert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate

C18H24N2O3 — CID 2997548

IUPACtert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)20-11-6-9-15(20)16(21)19-12-10-13-7-4-5-8-14(13)19/h4-5,7-8,15H,6,9-12H2,1-3H3
InChIKeyMUFZLOBFHJPNMP-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.98
Rot. Bonds1

About tert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate

tert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 2997548) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
PubChem CID2997548
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)20-11-6-9-15(20)16(21)19-12-10-13-7-4-5-8-14(13)19/h4-5,7-8,15H,6,9-12H2,1-3H3
InChIKeyMUFZLOBFHJPNMP-UHFFFAOYSA-N
XLogP2.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate (CID 2997548) is tert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCc2ccccc21.
What is the InChIKey of tert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is MUFZLOBFHJPNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)20-11-6-9-15(20)16(21)19-12-10-13-7-4-5-8-14(13)19/h4-5,7-8,15H,6,9-12H2,1-3H3.
What are the key properties of tert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 2997548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).