tert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate

C18H25NO2 — CID 90375735

IUPACtert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C1CC1c1ccccc1
InChIInChI=1S/C18H25NO2/c1-18(2,3)21-17(20)19-11-7-10-16(19)15-12-14(15)13-8-5-4-6-9-13/h4-6,8-9,14-16H,7,10-12H2,1-3H3
InChIKeyHSNXHRCOVFLOAO-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.19
Rot. Bonds2

About tert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate

tert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate (PubChem CID 90375735) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate
PubChem CID90375735
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nametert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C1CC1c1ccccc1
InChIInChI=1S/C18H25NO2/c1-18(2,3)21-17(20)19-11-7-10-16(19)15-12-14(15)13-8-5-4-6-9-13/h4-6,8-9,14-16H,7,10-12H2,1-3H3
InChIKeyHSNXHRCOVFLOAO-UHFFFAOYSA-N
XLogP4.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate (CID 90375735) is tert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C1CC1c1ccccc1.
What is the InChIKey of tert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate?
The InChIKey is HSNXHRCOVFLOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-18(2,3)21-17(20)19-11-7-10-16(19)15-12-14(15)13-8-5-4-6-9-13/h4-6,8-9,14-16H,7,10-12H2,1-3H3.
What are the key properties of tert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-phenylcyclopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 90375735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).