tert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate

C10H19NO3 — CID 14153342

IUPACtert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate
SMILESC=CCC(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-6-8(7-12)11-9(13)14-10(2,3)4/h5,8,12H,1,6-7H2,2-4H3,(H,11,13)
InChIKeyABDSMVSRKFOYMR-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.45
Rot. Bonds4

About tert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate

tert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate (PubChem CID 14153342) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate
PubChem CID14153342
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate
SMILESC=CCC(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-6-8(7-12)11-9(13)14-10(2,3)4/h5,8,12H,1,6-7H2,2-4H3,(H,11,13)
InChIKeyABDSMVSRKFOYMR-UHFFFAOYSA-N
XLogP1.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1-hydroxypent-4-en-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate (CID 14153342) is tert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate is C=CCC(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate?
The InChIKey is ABDSMVSRKFOYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-6-8(7-12)11-9(13)14-10(2,3)4/h5,8,12H,1,6-7H2,2-4H3,(H,11,13).
What are the key properties of tert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate?
tert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxypent-4-en-2-yl)carbamate is sourced from PubChem (CID 14153342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).