tert-butyl N-penta-2,3-dienylcarbamate

C10H17NO2 — CID 45092387

IUPACtert-butyl N-penta-2,3-dienylcarbamate
SMILESCC=C=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h5,7H,8H2,1-4H3,(H,11,12)
InChIKeyVPQXLWOARZMTNY-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.24
Rot. Bonds2

About tert-butyl N-penta-2,3-dienylcarbamate

tert-butyl N-penta-2,3-dienylcarbamate (PubChem CID 45092387) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl N-penta-2,3-dienylcarbamate.

Molecular Properties

Compound Nametert-butyl N-penta-2,3-dienylcarbamate
PubChem CID45092387
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl N-penta-2,3-dienylcarbamate
SMILESCC=C=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h5,7H,8H2,1-4H3,(H,11,12)
InChIKeyVPQXLWOARZMTNY-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-penta-2,3-dienylcarbamate?
The IUPAC name of tert-butyl N-penta-2,3-dienylcarbamate (CID 45092387) is tert-butyl N-penta-2,3-dienylcarbamate.
What is the SMILES notation for tert-butyl N-penta-2,3-dienylcarbamate?
The canonical SMILES for tert-butyl N-penta-2,3-dienylcarbamate is CC=C=CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-penta-2,3-dienylcarbamate?
The InChIKey is VPQXLWOARZMTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h5,7H,8H2,1-4H3,(H,11,12).
What are the key properties of tert-butyl N-penta-2,3-dienylcarbamate?
tert-butyl N-penta-2,3-dienylcarbamate 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-penta-2,3-dienylcarbamate is sourced from PubChem (CID 45092387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).