tert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate

C14H23NO2 — CID 134341594

IUPACtert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate
SMILESC=C1CCC(N(C)C(=O)OC(C)(C)C)/C1=C/C
InChIInChI=1S/C14H23NO2/c1-7-11-10(2)8-9-12(11)15(6)13(16)17-14(3,4)5/h7,12H,2,8-9H2,1,3-6H3/b11-7+
InChIKeyKLIAAEWXRJDTIR-YRNVUSSQSA-N
MW237.34 g/mol
LogP3.52
Rot. Bonds1

About tert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate

tert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate (PubChem CID 134341594) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate
PubChem CID134341594
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate
SMILESC=C1CCC(N(C)C(=O)OC(C)(C)C)/C1=C/C
InChIInChI=1S/C14H23NO2/c1-7-11-10(2)8-9-12(11)15(6)13(16)17-14(3,4)5/h7,12H,2,8-9H2,1,3-6H3/b11-7+
InChIKeyKLIAAEWXRJDTIR-YRNVUSSQSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate (CID 134341594) is tert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate is C=C1CCC(N(C)C(=O)OC(C)(C)C)/C1=C/C.
What is the InChIKey of tert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate?
The InChIKey is KLIAAEWXRJDTIR-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H23NO2/c1-7-11-10(2)8-9-12(11)15(6)13(16)17-14(3,4)5/h7,12H,2,8-9H2,1,3-6H3/b11-7+.
What are the key properties of tert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate?
tert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate has a molecular weight of 237.34 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate is sourced from PubChem (CID 134341594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).