tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate

C13H18N2O2 — CID 78057434

IUPACtert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC1c1cccnc1
InChIInChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-11-7-10(11)9-5-4-6-14-8-9/h4-6,8,10-11H,7H2,1-3H3,(H,15,16)
InChIKeyLJUOZRBDSDCVMO-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.46
Rot. Bonds2

About tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate

tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate (PubChem CID 78057434) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate
PubChem CID78057434
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nametert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC1c1cccnc1
InChIInChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-11-7-10(11)9-5-4-6-14-8-9/h4-6,8,10-11H,7H2,1-3H3,(H,15,16)
InChIKeyLJUOZRBDSDCVMO-UHFFFAOYSA-N
XLogP2.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate?
The IUPAC name of tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate (CID 78057434) is tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate is CC(C)(C)OC(=O)NC1CC1c1cccnc1.
What is the InChIKey of tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate?
The InChIKey is LJUOZRBDSDCVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-11-7-10(11)9-5-4-6-14-8-9/h4-6,8,10-11H,7H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate?
tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate has a molecular weight of 234.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate is sourced from PubChem (CID 78057434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).