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

C10H19NO2 — CID 11469491

IUPACtert-butyl N-[(E)-pent-1-enyl]carbamate
SMILESCCC/C=C/NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h7-8H,5-6H2,1-4H3,(H,11,12)/b8-7+
InChIKeyDMHCUBIDRNFOBG-BQYQJAHWSA-N
MW185.27 g/mol
LogP2.82
Rot. Bonds3

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

tert-butyl N-[(E)-pent-1-enyl]carbamate (PubChem CID 11469491) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl N-[(E)-pent-1-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-pent-1-enyl]carbamate
PubChem CID11469491
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl N-[(E)-pent-1-enyl]carbamate
SMILESCCC/C=C/NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h7-8H,5-6H2,1-4H3,(H,11,12)/b8-7+
InChIKeyDMHCUBIDRNFOBG-BQYQJAHWSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.82
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)-pent-1-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-pent-1-enyl]carbamate (CID 11469491) is tert-butyl N-[(E)-pent-1-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-pent-1-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-pent-1-enyl]carbamate is CCC/C=C/NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-pent-1-enyl]carbamate?
The InChIKey is DMHCUBIDRNFOBG-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h7-8H,5-6H2,1-4H3,(H,11,12)/b8-7+.
What are the key properties of tert-butyl N-[(E)-pent-1-enyl]carbamate?
tert-butyl N-[(E)-pent-1-enyl]carbamate has a molecular weight of 185.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-pent-1-enyl]carbamate is sourced from PubChem (CID 11469491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).