tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate

C10H17NO2 — CID 167104188

IUPACtert-butyl N-(2-methylbuta-2,3-dienyl)carbamate
SMILESC=C=C(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-6-8(2)7-11-9(12)13-10(3,4)5/h1,7H2,2-5H3,(H,11,12)
InChIKeyQCCWMZQJPOWTMB-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.24
Rot. Bonds2

About tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate

tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate (PubChem CID 167104188) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methylbuta-2,3-dienyl)carbamate
PubChem CID167104188
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl N-(2-methylbuta-2,3-dienyl)carbamate
SMILESC=C=C(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-6-8(2)7-11-9(12)13-10(3,4)5/h1,7H2,2-5H3,(H,11,12)
InChIKeyQCCWMZQJPOWTMB-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane-1,2-diol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
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tert-butyl N-(3-bromo-2-oxopropyl)carbamate
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tert-butyl N-(acetamidomethyl)carbamate
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tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate
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tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate?
The IUPAC name of tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate (CID 167104188) is tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate is C=C=C(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate?
The InChIKey is QCCWMZQJPOWTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-8(2)7-11-9(12)13-10(3,4)5/h1,7H2,2-5H3,(H,11,12).
What are the key properties of tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate?
tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate has a molecular weight of 183.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate is sourced from PubChem (CID 167104188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).