tert-butyl N,N-bis(prop-2-enyl)carbamate

C11H19NO2 — CID 5107724

IUPACtert-butyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO2/c1-6-8-12(9-7-2)10(13)14-11(3,4)5/h6-7H,1-2,8-9H2,3-5H3
InChIKeyRRIPHUBKNVVTBM-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.60
Rot. Bonds4

About tert-butyl N,N-bis(prop-2-enyl)carbamate

tert-butyl N,N-bis(prop-2-enyl)carbamate (PubChem CID 5107724) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tert-butyl N,N-bis(prop-2-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N,N-bis(prop-2-enyl)carbamate
PubChem CID5107724
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametert-butyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO2/c1-6-8-12(9-7-2)10(13)14-11(3,4)5/h6-7H,1-2,8-9H2,3-5H3
InChIKeyRRIPHUBKNVVTBM-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
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,N-bis(prop-2-enyl)carbamate?
The IUPAC name of tert-butyl N,N-bis(prop-2-enyl)carbamate (CID 5107724) is tert-butyl N,N-bis(prop-2-enyl)carbamate.
What is the SMILES notation for tert-butyl N,N-bis(prop-2-enyl)carbamate?
The canonical SMILES for tert-butyl N,N-bis(prop-2-enyl)carbamate is C=CCN(CC=C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N,N-bis(prop-2-enyl)carbamate?
The InChIKey is RRIPHUBKNVVTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-6-8-12(9-7-2)10(13)14-11(3,4)5/h6-7H,1-2,8-9H2,3-5H3.
What are the key properties of tert-butyl N,N-bis(prop-2-enyl)carbamate?
tert-butyl N,N-bis(prop-2-enyl)carbamate has a molecular weight of 197.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-bis(prop-2-enyl)carbamate is sourced from PubChem (CID 5107724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).