tert-butyl N-[(E)-prop-1-enyl]carbamate

C8H15NO2 — CID 11423724

IUPACtert-butyl N-[(E)-prop-1-enyl]carbamate
SMILESC/C=C/NC(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO2/c1-5-6-9-7(10)11-8(2,3)4/h5-6H,1-4H3,(H,9,10)/b6-5+
InChIKeyFIZCCQCDGGYKLM-AATRIKPKSA-N
MW157.21 g/mol
LogP2.04
Rot. Bonds1

About tert-butyl N-[(E)-prop-1-enyl]carbamate

tert-butyl N-[(E)-prop-1-enyl]carbamate (PubChem CID 11423724) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is tert-butyl N-[(E)-prop-1-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-prop-1-enyl]carbamate
PubChem CID11423724
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nametert-butyl N-[(E)-prop-1-enyl]carbamate
SMILESC/C=C/NC(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO2/c1-5-6-9-7(10)11-8(2,3)4/h5-6H,1-4H3,(H,9,10)/b6-5+
InChIKeyFIZCCQCDGGYKLM-AATRIKPKSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-prop-1-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-prop-1-enyl]carbamate (CID 11423724) is tert-butyl N-[(E)-prop-1-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-prop-1-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-prop-1-enyl]carbamate is C/C=C/NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-prop-1-enyl]carbamate?
The InChIKey is FIZCCQCDGGYKLM-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-6-9-7(10)11-8(2,3)4/h5-6H,1-4H3,(H,9,10)/b6-5+.
What are the key properties of tert-butyl N-[(E)-prop-1-enyl]carbamate?
tert-butyl N-[(E)-prop-1-enyl]carbamate has a molecular weight of 157.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-prop-1-enyl]carbamate is sourced from PubChem (CID 11423724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).