tert-butyl N-(3-prop-2-enoxypropyl)carbamate

C11H21NO3 — CID 19960741

IUPACtert-butyl N-(3-prop-2-enoxypropyl)carbamate
SMILESC=CCOCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-8-14-9-6-7-12-10(13)15-11(2,3)4/h5H,1,6-9H2,2-4H3,(H,12,13)
InChIKeyMXGXXNXMJBVACM-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.10
Rot. Bonds6

About tert-butyl N-(3-prop-2-enoxypropyl)carbamate

tert-butyl N-(3-prop-2-enoxypropyl)carbamate (PubChem CID 19960741) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(3-prop-2-enoxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-prop-2-enoxypropyl)carbamate
PubChem CID19960741
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(3-prop-2-enoxypropyl)carbamate
SMILESC=CCOCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-8-14-9-6-7-12-10(13)15-11(2,3)4/h5H,1,6-9H2,2-4H3,(H,12,13)
InChIKeyMXGXXNXMJBVACM-UHFFFAOYSA-N
XLogP2.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-prop-2-enoxypropyl)carbamate?
The IUPAC name of tert-butyl N-(3-prop-2-enoxypropyl)carbamate (CID 19960741) is tert-butyl N-(3-prop-2-enoxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-prop-2-enoxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-prop-2-enoxypropyl)carbamate is C=CCOCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-prop-2-enoxypropyl)carbamate?
The InChIKey is MXGXXNXMJBVACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-8-14-9-6-7-12-10(13)15-11(2,3)4/h5H,1,6-9H2,2-4H3,(H,12,13).
What are the key properties of tert-butyl N-(3-prop-2-enoxypropyl)carbamate?
tert-butyl N-(3-prop-2-enoxypropyl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-prop-2-enoxypropyl)carbamate is sourced from PubChem (CID 19960741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).