cyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate

C16H25NO2 — CID 18343645

IUPACcyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate
SMILESO=C(NCCC1=CCCCC1)OCC1CC=CCC1
InChIInChI=1S/C16H25NO2/c18-16(19-13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h2,5,7,15H,1,3-4,6,8-13H2,(H,17,18)
InChIKeyIWLCGGRQJSOWPA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.96
Rot. Bonds5

About cyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate

cyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate (PubChem CID 18343645) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate
PubChem CID18343645
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namecyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate
SMILESO=C(NCCC1=CCCCC1)OCC1CC=CCC1
InChIInChI=1S/C16H25NO2/c18-16(19-13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h2,5,7,15H,1,3-4,6,8-13H2,(H,17,18)
InChIKeyIWLCGGRQJSOWPA-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate?
The IUPAC name of cyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate (CID 18343645) is cyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate.
What is the SMILES notation for cyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate?
The canonical SMILES for cyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate is O=C(NCCC1=CCCCC1)OCC1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate?
The InChIKey is IWLCGGRQJSOWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c18-16(19-13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h2,5,7,15H,1,3-4,6,8-13H2,(H,17,18).
What are the key properties of cyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate?
cyclohex-3-en-1-ylmethyl N-[2-(cyclohexen-1-yl)ethyl]carbamate has a molecular weight of 263.38 g/mol, XLogP of 3.96, 5 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-[2-(cyclohexen-1-yl)ethyl]carbamate is sourced from PubChem (CID 18343645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).