tert-butyl N-(1-phenylcyclopropyl)carbamate

C14H19NO2 — CID 11345321

IUPACtert-butyl N-(1-phenylcyclopropyl)carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-13(2,3)17-12(16)15-14(9-10-14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,16)
InChIKeyLOYKYRSYEAFKTO-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.20
Rot. Bonds2

About tert-butyl N-(1-phenylcyclopropyl)carbamate

tert-butyl N-(1-phenylcyclopropyl)carbamate (PubChem CID 11345321) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl N-(1-phenylcyclopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-phenylcyclopropyl)carbamate
PubChem CID11345321
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nametert-butyl N-(1-phenylcyclopropyl)carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-13(2,3)17-12(16)15-14(9-10-14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,16)
InChIKeyLOYKYRSYEAFKTO-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-phenylcyclopropyl)carbamate?
The IUPAC name of tert-butyl N-(1-phenylcyclopropyl)carbamate (CID 11345321) is tert-butyl N-(1-phenylcyclopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-phenylcyclopropyl)carbamate?
The canonical SMILES for tert-butyl N-(1-phenylcyclopropyl)carbamate is CC(C)(C)OC(=O)NC1(c2ccccc2)CC1.
What is the InChIKey of tert-butyl N-(1-phenylcyclopropyl)carbamate?
The InChIKey is LOYKYRSYEAFKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-13(2,3)17-12(16)15-14(9-10-14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(1-phenylcyclopropyl)carbamate?
tert-butyl N-(1-phenylcyclopropyl)carbamate has a molecular weight of 233.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-phenylcyclopropyl)carbamate is sourced from PubChem (CID 11345321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).