3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate

C15H25NO3 — CID 58895304

IUPAC3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESCOC(C)CCOC(=O)NC/C=C/C1CC=CCC1
InChIInChI=1S/C15H25NO3/c1-13(18-2)10-12-19-15(17)16-11-6-9-14-7-4-3-5-8-14/h3-4,6,9,13-14H,5,7-8,10-12H2,1-2H3,(H,16,17)/b9-6+
InChIKeyRLWZKWZOKYCJTL-RMKNXTFCSA-N
MW267.37 g/mol
LogP3.05
Rot. Bonds7

About 3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate

3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (PubChem CID 58895304) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.

Molecular Properties

Compound Name3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
PubChem CID58895304
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
SMILESCOC(C)CCOC(=O)NC/C=C/C1CC=CCC1
InChIInChI=1S/C15H25NO3/c1-13(18-2)10-12-19-15(17)16-11-6-9-14-7-4-3-5-8-14/h3-4,6,9,13-14H,5,7-8,10-12H2,1-2H3,(H,16,17)/b9-6+
InChIKeyRLWZKWZOKYCJTL-RMKNXTFCSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The IUPAC name of 3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate (CID 58895304) is 3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate.
What is the SMILES notation for 3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The canonical SMILES for 3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is COC(C)CCOC(=O)NC/C=C/C1CC=CCC1.
What is the InChIKey of 3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
The InChIKey is RLWZKWZOKYCJTL-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13(18-2)10-12-19-15(17)16-11-6-9-14-7-4-3-5-8-14/h3-4,6,9,13-14H,5,7-8,10-12H2,1-2H3,(H,16,17)/b9-6+.
What are the key properties of 3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate?
3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate has a molecular weight of 267.37 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate is sourced from PubChem (CID 58895304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).