methyl N-dec-9-enylcarbamate

C12H23NO2 — CID 71626320

IUPACmethyl N-dec-9-enylcarbamate
SMILESC=CCCCCCCCCNC(=O)OC
InChIInChI=1S/C12H23NO2/c1-3-4-5-6-7-8-9-10-11-13-12(14)15-2/h3H,1,4-11H2,2H3,(H,13,14)
InChIKeyMAMIIHYYHCEIAQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.26
Rot. Bonds9

About methyl N-dec-9-enylcarbamate

methyl N-dec-9-enylcarbamate (PubChem CID 71626320) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl N-dec-9-enylcarbamate.

Molecular Properties

Compound Namemethyl N-dec-9-enylcarbamate
PubChem CID71626320
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl N-dec-9-enylcarbamate
SMILESC=CCCCCCCCCNC(=O)OC
InChIInChI=1S/C12H23NO2/c1-3-4-5-6-7-8-9-10-11-13-12(14)15-2/h3H,1,4-11H2,2H3,(H,13,14)
InChIKeyMAMIIHYYHCEIAQ-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-dec-9-enylcarbamate?
The IUPAC name of methyl N-dec-9-enylcarbamate (CID 71626320) is methyl N-dec-9-enylcarbamate.
What is the SMILES notation for methyl N-dec-9-enylcarbamate?
The canonical SMILES for methyl N-dec-9-enylcarbamate is C=CCCCCCCCCNC(=O)OC.
What is the InChIKey of methyl N-dec-9-enylcarbamate?
The InChIKey is MAMIIHYYHCEIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-5-6-7-8-9-10-11-13-12(14)15-2/h3H,1,4-11H2,2H3,(H,13,14).
What are the key properties of methyl N-dec-9-enylcarbamate?
methyl N-dec-9-enylcarbamate has a molecular weight of 213.32 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-dec-9-enylcarbamate is sourced from PubChem (CID 71626320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).