methyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate

C15H27NO2 — CID 122495939

IUPACmethyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate
SMILESCOC(=O)N(CC(C)(C)C)C1/C=C\CCCCC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)12-16(14(17)18-4)13-10-8-6-5-7-9-11-13/h8,10,13H,5-7,9,11-12H2,1-4H3/b10-8-
InChIKeyBTPYJCXTECFOEU-NTMALXAHSA-N
MW253.39 g/mol
LogP3.99
Rot. Bonds2

About methyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate

methyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate (PubChem CID 122495939) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is methyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Namemethyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate
PubChem CID122495939
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namemethyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate
SMILESCOC(=O)N(CC(C)(C)C)C1/C=C\CCCCC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)12-16(14(17)18-4)13-10-8-6-5-7-9-11-13/h8,10,13H,5-7,9,11-12H2,1-4H3/b10-8-
InChIKeyBTPYJCXTECFOEU-NTMALXAHSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
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 methyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate?
The IUPAC name of methyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate (CID 122495939) is methyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate.
What is the SMILES notation for methyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate?
The canonical SMILES for methyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate is COC(=O)N(CC(C)(C)C)C1/C=C\CCCCC1.
What is the InChIKey of methyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate?
The InChIKey is BTPYJCXTECFOEU-NTMALXAHSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2,3)12-16(14(17)18-4)13-10-8-6-5-7-9-11-13/h8,10,13H,5-7,9,11-12H2,1-4H3/b10-8-.
What are the key properties of methyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate?
methyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate has a molecular weight of 253.39 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2E)-cyclooct-2-en-1-yl]-N-(2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 122495939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).