tert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate

C11H17NO2 — CID 71427234

IUPACtert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate
SMILESC#CCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H17NO2/c1-5-8-12(9-6-7-9)10(13)14-11(2,3)4/h1,9H,6-8H2,2-4H3
InChIKeyNPYLASUMIHNVPG-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.02
Rot. Bonds2

About tert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate

tert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate (PubChem CID 71427234) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate
PubChem CID71427234
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nametert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate
SMILESC#CCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H17NO2/c1-5-8-12(9-6-7-9)10(13)14-11(2,3)4/h1,9H,6-8H2,2-4H3
InChIKeyNPYLASUMIHNVPG-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate (CID 71427234) is tert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate is C#CCN(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate?
The InChIKey is NPYLASUMIHNVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-8-12(9-6-7-9)10(13)14-11(2,3)4/h1,9H,6-8H2,2-4H3.
What are the key properties of tert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate?
tert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate has a molecular weight of 195.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-prop-2-ynylcarbamate is sourced from PubChem (CID 71427234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).