but-3-en-2-yl N,N-di(propan-2-yl)carbamate

C11H21NO2 — CID 544118

IUPACbut-3-en-2-yl N,N-di(propan-2-yl)carbamate
SMILESC=CC(C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H21NO2/c1-7-10(6)14-11(13)12(8(2)3)9(4)5/h7-10H,1H2,2-6H3
InChIKeyRFUAEPDFSHCPNZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.82
Rot. Bonds4

About but-3-en-2-yl N,N-di(propan-2-yl)carbamate

but-3-en-2-yl N,N-di(propan-2-yl)carbamate (PubChem CID 544118) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is but-3-en-2-yl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Namebut-3-en-2-yl N,N-di(propan-2-yl)carbamate
PubChem CID544118
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namebut-3-en-2-yl N,N-di(propan-2-yl)carbamate
SMILESC=CC(C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H21NO2/c1-7-10(6)14-11(13)12(8(2)3)9(4)5/h7-10H,1H2,2-6H3
InChIKeyRFUAEPDFSHCPNZ-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze but-3-en-2-yl N,N-di(propan-2-yl)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 but-3-en-2-yl N,N-di(propan-2-yl)carbamate?
The IUPAC name of but-3-en-2-yl N,N-di(propan-2-yl)carbamate (CID 544118) is but-3-en-2-yl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for but-3-en-2-yl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for but-3-en-2-yl N,N-di(propan-2-yl)carbamate is C=CC(C)OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of but-3-en-2-yl N,N-di(propan-2-yl)carbamate?
The InChIKey is RFUAEPDFSHCPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7-10(6)14-11(13)12(8(2)3)9(4)5/h7-10H,1H2,2-6H3.
What are the key properties of but-3-en-2-yl N,N-di(propan-2-yl)carbamate?
but-3-en-2-yl N,N-di(propan-2-yl)carbamate has a molecular weight of 199.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 544118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).