tert-butyl N-(2-methylidenecyclopropyl)carbamate

C9H15NO2 — CID 170916149

IUPACtert-butyl N-(2-methylidenecyclopropyl)carbamate
SMILESC=C1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C9H15NO2/c1-6-5-7(6)10-8(11)12-9(2,3)4/h7H,1,5H2,2-4H3,(H,10,11)
InChIKeyJNCREANTTZUMTQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.84
Rot. Bonds1

About tert-butyl N-(2-methylidenecyclopropyl)carbamate

tert-butyl N-(2-methylidenecyclopropyl)carbamate (PubChem CID 170916149) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is tert-butyl N-(2-methylidenecyclopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methylidenecyclopropyl)carbamate
PubChem CID170916149
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nametert-butyl N-(2-methylidenecyclopropyl)carbamate
SMILESC=C1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C9H15NO2/c1-6-5-7(6)10-8(11)12-9(2,3)4/h7H,1,5H2,2-4H3,(H,10,11)
InChIKeyJNCREANTTZUMTQ-UHFFFAOYSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methylidenecyclopropyl)carbamate?
The IUPAC name of tert-butyl N-(2-methylidenecyclopropyl)carbamate (CID 170916149) is tert-butyl N-(2-methylidenecyclopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methylidenecyclopropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methylidenecyclopropyl)carbamate is C=C1CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methylidenecyclopropyl)carbamate?
The InChIKey is JNCREANTTZUMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-5-7(6)10-8(11)12-9(2,3)4/h7H,1,5H2,2-4H3,(H,10,11).
What are the key properties of tert-butyl N-(2-methylidenecyclopropyl)carbamate?
tert-butyl N-(2-methylidenecyclopropyl)carbamate has a molecular weight of 169.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methylidenecyclopropyl)carbamate is sourced from PubChem (CID 170916149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).