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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Related Compounds

tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
CID 142303011
tert-butyl N-[(7R)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N-methylcarbamate
CID 171624591
tert-butyl N-(4-methylidenecyclohexyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118990065
tert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
CID 134337207
methyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 59505713
tert-butyl N-(3-ethenyl-4-methylsulfanylcyclohex-3-en-1-yl)-N-methylcarbamate
CID 177018342
tert-butyl N-(8-bicyclo[3.2.1]octanyl)-N-methylcarbamate
CID 141044538
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185
tert-butyl N-methyl-N-[(1R)-4-oxocyclohept-2-en-1-yl]carbamate
CID 134859250
tert-butyl N-methyl-N-(1-prop-2-enoylazetidin-3-yl)carbamate
CID 146121110
tert-butyl N-(3-cyanocyclopentyl)-N-methylcarbamate
CID 54105856
tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
CID 146670008

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).