tert-butyl N-(3-methylbut-2-enyl)carbamate

C10H19NO2 — CID 10330051

IUPACtert-butyl N-(3-methylbut-2-enyl)carbamate
SMILESCC(C)=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)6-7-11-9(12)13-10(3,4)5/h6H,7H2,1-5H3,(H,11,12)
InChIKeyNKJLFEZJFNEWKA-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.48
Rot. Bonds2

About tert-butyl N-(3-methylbut-2-enyl)carbamate

tert-butyl N-(3-methylbut-2-enyl)carbamate (PubChem CID 10330051) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl N-(3-methylbut-2-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methylbut-2-enyl)carbamate
PubChem CID10330051
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl N-(3-methylbut-2-enyl)carbamate
SMILESCC(C)=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)6-7-11-9(12)13-10(3,4)5/h6H,7H2,1-5H3,(H,11,12)
InChIKeyNKJLFEZJFNEWKA-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(prop-2-en-1-yl)carbamate
CID 4067274
tert-butyl N-((2E)-3-(tributylstannyl)prop-2-en-1-yl)carbamate
CID 14934033
Tert-butyl but-3-EN-1-ylcarbamate
CID 11263760
tert-butyl N-(4-aminobut-2-en-1-yl)carbamate
CID 18947920
tert-butyl N-[(2E)-4-chlorobut-2-en-1-yl]carbamate
CID 14395668
1-(Boc-amino)-2,3-butadiene
CID 14585915
tert-butyl N-((2E)-4-bromobut-2-en-1-yl)carbamate
CID 15177055
tert-Butyl (2-methylallyl)carbamate
CID 13294365
tert-butyl N-[(2E)-3-iodoprop-2-en-1-yl]carbamate
CID 15681858
tert-butyl N-(4-(methylamino)but-2-en-1-yl)carbamate
CID 131243568
tert-butyl N-(3-methylbut-3-en-2-yl)carbamate
CID 10726189
Carbamic acid, (3-methyl-2-butenyl)-, ethyl ester
CID 13641453

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methylbut-2-enyl)carbamate?
The IUPAC name of tert-butyl N-(3-methylbut-2-enyl)carbamate (CID 10330051) is tert-butyl N-(3-methylbut-2-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methylbut-2-enyl)carbamate?
The canonical SMILES for tert-butyl N-(3-methylbut-2-enyl)carbamate is CC(C)=CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-methylbut-2-enyl)carbamate?
The InChIKey is NKJLFEZJFNEWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)6-7-11-9(12)13-10(3,4)5/h6H,7H2,1-5H3,(H,11,12).
What are the key properties of tert-butyl N-(3-methylbut-2-enyl)carbamate?
tert-butyl N-(3-methylbut-2-enyl)carbamate has a molecular weight of 185.27 g/mol, XLogP of 2.48, 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-2-enyl)carbamate is sourced from PubChem (CID 10330051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).