tert-butyl N-penta-2,4-dienylcarbamate

C10H17NO2 — CID 54438753

IUPACtert-butyl N-penta-2,4-dienylcarbamate
SMILESC=CC=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h5-7H,1,8H2,2-4H3,(H,11,12)
InChIKeyWMOXWVRJMDXJKS-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.25
Rot. Bonds3

About tert-butyl N-penta-2,4-dienylcarbamate

tert-butyl N-penta-2,4-dienylcarbamate (PubChem CID 54438753) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl N-penta-2,4-dienylcarbamate.

Molecular Properties

Compound Nametert-butyl N-penta-2,4-dienylcarbamate
PubChem CID54438753
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl N-penta-2,4-dienylcarbamate
SMILESC=CC=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h5-7H,1,8H2,2-4H3,(H,11,12)
InChIKeyWMOXWVRJMDXJKS-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(E)-4-oxobut-2-enyl]carbamate
CID 131235306
tert-butyl N-[(2E)-6-methylhepta-2,4-dienyl]carbamate
CID 135038852
tert-butyl N-(3-bromoprop-2-enyl)carbamate
CID 173240519
tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 18947920
tert-butyl N-(3-trimethylsilylprop-2-enyl)carbamate
CID 85157761
tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate
CID 140618813
tert-butyl N-(prop-2-enylamino)carbamate
CID 11240753
tert-butyl N-[(E)-4-[(3-hydroxy-3-methylbutan-2-yl)amino]but-2-enyl]carbamate
CID 107253172
tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate
CID 169467603
tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate
CID 107253047
(2,3-dihydroxy-2,3-dimethylbutoxy)-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]borinic acid
CID 141116725
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-penta-2,4-dienylcarbamate?
The IUPAC name of tert-butyl N-penta-2,4-dienylcarbamate (CID 54438753) is tert-butyl N-penta-2,4-dienylcarbamate.
What is the SMILES notation for tert-butyl N-penta-2,4-dienylcarbamate?
The canonical SMILES for tert-butyl N-penta-2,4-dienylcarbamate is C=CC=CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-penta-2,4-dienylcarbamate?
The InChIKey is WMOXWVRJMDXJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h5-7H,1,8H2,2-4H3,(H,11,12).
What are the key properties of tert-butyl N-penta-2,4-dienylcarbamate?
tert-butyl N-penta-2,4-dienylcarbamate has a molecular weight of 183.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-penta-2,4-dienylcarbamate is sourced from PubChem (CID 54438753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).