cyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate

C14H21NO2 — CID 18343644

IUPACcyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate
SMILESO=C(NC1CC=CCC1)OCC1CC=CCC1
InChIInChI=1S/C14H21NO2/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2,(H,15,16)
InChIKeyASKUAGZIYRFYHY-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.18
Rot. Bonds3

About cyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate

cyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate (PubChem CID 18343644) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate
PubChem CID18343644
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namecyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate
SMILESO=C(NC1CC=CCC1)OCC1CC=CCC1
InChIInChI=1S/C14H21NO2/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2,(H,15,16)
InChIKeyASKUAGZIYRFYHY-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.18
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

2-fluoroethyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
CID 58895300
2-fluoroethyl N-(3-cyclohex-3-en-1-ylprop-2-enyl)carbamate
CID 72456024
butyl N-[(E)-1-cyclohexyl-6-methylhept-3-en-2-yl]carbamate
CID 20192758
tert-Butyl trans-(5-hydroxymethyl)-cyclohex-2-enylcarbamate
CID 24720914
ethyl N-[(1S,5R)-5-methylcyclohex-2-en-1-yl]carbamate
CID 11116699
Butyl cyclohex-2-en-1-ylcarbamate
CID 71405455
N-[6alpha-(Hydroxymethyl)-3-cyclohexene-1alpha-yl]carbamic acid tert-butyl ester
CID 101136349
cyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate
CID 18343645
Cyclohex-3-en-1-ylmethyl carbamate;4-isocyanatocyclohexene
CID 18522635
Butyloxycarbonylamino-1-cyclohexylbut-3-ene
CID 19816746
butyl N-[(2S)-1-cyclohexyl-6-methylhept-3-en-2-yl]carbamate
CID 53795723
ethyl N-(1,2,4a,8a-tetrahydronaphthalen-1-yl)carbamate
CID 57189444

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate?
The IUPAC name of cyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate (CID 18343644) is cyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate.
What is the SMILES notation for cyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate?
The canonical SMILES for cyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate is O=C(NC1CC=CCC1)OCC1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate?
The InChIKey is ASKUAGZIYRFYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-14(15-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2,(H,15,16).
What are the key properties of cyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate?
cyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate has a molecular weight of 235.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylmethyl N-cyclohex-3-en-1-ylcarbamate is sourced from PubChem (CID 18343644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).