tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate

C14H23NO2 — CID 118155899

IUPACtert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate
SMILESC=C1/C(=C\C)CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-6-11-8-7-9-12(10(11)2)15-13(16)17-14(3,4)5/h6,12H,2,7-9H2,1,3-5H3,(H,15,16)/b11-6-
InChIKeyKIKPOEQVICAANY-WDZFZDKYSA-N
MW237.34 g/mol
LogP3.57
Rot. Bonds1

About tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate

tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate (PubChem CID 118155899) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate
PubChem CID118155899
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate
SMILESC=C1/C(=C\C)CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-6-11-8-7-9-12(10(11)2)15-13(16)17-14(3,4)5/h6,12H,2,7-9H2,1,3-5H3,(H,15,16)/b11-6-
InChIKeyKIKPOEQVICAANY-WDZFZDKYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate
CID 129026517
tert-butyl N-(3-ethylidenecyclopentyl)carbamate
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tert-butyl N-(4-methylidenecycloheptyl)carbamate
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tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate
CID 118130143
tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate
CID 171829556
tert-butyl N-[(3E)-3-(hydroxymethylidene)cyclohexyl]carbamate
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tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
CID 121334667
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CID 158735522
tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
CID 134337615
tert-butyl N-[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamate
CID 166571691
tert-butyl N-[(3S)-2-sulfanylideneazepan-3-yl]carbamate
CID 91546648
tert-butyl 3-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate (CID 118155899) is tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate is C=C1/C(=C\C)CCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate?
The InChIKey is KIKPOEQVICAANY-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-11-8-7-9-12(10(11)2)15-13(16)17-14(3,4)5/h6,12H,2,7-9H2,1,3-5H3,(H,15,16)/b11-6-.
What are the key properties of tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate?
tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate has a molecular weight of 237.34 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate is sourced from PubChem (CID 118155899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).