tert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate

C13H23NO2 — CID 11241613

IUPACtert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate
SMILESC=CCCCN(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-6-8-9-11-14(10-7-2)12(15)16-13(3,4)5/h6-7H,1-2,8-11H2,3-5H3
InChIKeyPPATWCQATRATAM-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.38
Rot. Bonds6

About tert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate

tert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate (PubChem CID 11241613) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate
PubChem CID11241613
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate
SMILESC=CCCCN(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-6-8-9-11-14(10-7-2)12(15)16-13(3,4)5/h6-7H,1-2,8-11H2,3-5H3
InChIKeyPPATWCQATRATAM-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate (CID 11241613) is tert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate is C=CCCCN(CC=C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate?
The InChIKey is PPATWCQATRATAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-8-9-11-14(10-7-2)12(15)16-13(3,4)5/h6-7H,1-2,8-11H2,3-5H3.
What are the key properties of tert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate?
tert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate has a molecular weight of 225.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-pent-4-enyl-N-prop-2-enylcarbamate is sourced from PubChem (CID 11241613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).