tert-butyl N-(3-methylbut-1-enyl)carbamate

C10H19NO2 — CID 74421847

IUPACtert-butyl N-(3-methylbut-1-enyl)carbamate
SMILESCC(C)C=CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)6-7-11-9(12)13-10(3,4)5/h6-8H,1-5H3,(H,11,12)
InChIKeyNXWMSFDJNQFCKQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.68
Rot. Bonds2

About tert-butyl N-(3-methylbut-1-enyl)carbamate

tert-butyl N-(3-methylbut-1-enyl)carbamate (PubChem CID 74421847) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl N-(3-methylbut-1-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methylbut-1-enyl)carbamate
PubChem CID74421847
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl N-(3-methylbut-1-enyl)carbamate
SMILESCC(C)C=CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)6-7-11-9(12)13-10(3,4)5/h6-8H,1-5H3,(H,11,12)
InChIKeyNXWMSFDJNQFCKQ-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-(3-methylbut-1-enyl)carbamate 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-(3-methylbut-1-enyl)carbamate?
The IUPAC name of tert-butyl N-(3-methylbut-1-enyl)carbamate (CID 74421847) is tert-butyl N-(3-methylbut-1-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methylbut-1-enyl)carbamate?
The canonical SMILES for tert-butyl N-(3-methylbut-1-enyl)carbamate is CC(C)C=CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-methylbut-1-enyl)carbamate?
The InChIKey is NXWMSFDJNQFCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)6-7-11-9(12)13-10(3,4)5/h6-8H,1-5H3,(H,11,12).
What are the key properties of tert-butyl N-(3-methylbut-1-enyl)carbamate?
tert-butyl N-(3-methylbut-1-enyl)carbamate has a molecular weight of 185.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methylbut-1-enyl)carbamate is sourced from PubChem (CID 74421847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).