tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate

C13H23NO2 — CID 91758204

IUPACtert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
SMILESC=CCC1(NC(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C13H23NO2/c1-5-8-13(9-6-7-10-13)14-11(15)16-12(2,3)4/h5H,1,6-10H2,2-4H3,(H,14,15)
InChIKeyBPSNBBVBXMCHCA-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.40
Rot. Bonds3

About tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate

tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate (PubChem CID 91758204) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
PubChem CID91758204
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
SMILESC=CCC1(NC(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C13H23NO2/c1-5-8-13(9-6-7-10-13)14-11(15)16-12(2,3)4/h5H,1,6-10H2,2-4H3,(H,14,15)
InChIKeyBPSNBBVBXMCHCA-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.40
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-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate
CID 165465025
tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate
CID 139520312
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylcyclopentane-1-carboxylic acid
CID 67113604
(E)-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]but-2-enoic acid
CID 10729698
tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
CID 99988243
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-[(1S,2R)-2-[(2R)-1-hydroxypropan-2-yl]-1-prop-2-enylcyclopentyl]carbamate
CID 10956996
tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
CID 115071731
tert-butyl N-(3-ethylpiperidin-3-yl)carbamate
CID 84726051
tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate
CID 71982667

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate?
The IUPAC name of tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate (CID 91758204) is tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate?
The canonical SMILES for tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate is C=CCC1(NC(=O)OC(C)(C)C)CCCC1.
What is the InChIKey of tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate?
The InChIKey is BPSNBBVBXMCHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-8-13(9-6-7-10-13)14-11(15)16-12(2,3)4/h5H,1,6-10H2,2-4H3,(H,14,15).
What are the key properties of tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate?
tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate has a molecular weight of 225.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate is sourced from PubChem (CID 91758204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).