ethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate

C12H21NO2 — CID 58895255

IUPACethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
SMILESCC/C=C\CC/C=C/CNC(=O)OCC
InChIInChI=1S/C12H21NO2/c1-3-5-6-7-8-9-10-11-13-12(14)15-4-2/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,13,14)/b6-5-,10-9+
InChIKeyYINDIPLZJVTPCP-MLCWLASSSA-N
MW211.30 g/mol
LogP3.04
Rot. Bonds7

About ethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate

ethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate (PubChem CID 58895255) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
PubChem CID58895255
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
SMILESCC/C=C\CC/C=C/CNC(=O)OCC
InChIInChI=1S/C12H21NO2/c1-3-5-6-7-8-9-10-11-13-12(14)15-4-2/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,13,14)/b6-5-,10-9+
InChIKeyYINDIPLZJVTPCP-MLCWLASSSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.04
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 ethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The IUPAC name of ethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate (CID 58895255) is ethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate.
What is the SMILES notation for ethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The canonical SMILES for ethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate is CC/C=C\CC/C=C/CNC(=O)OCC.
What is the InChIKey of ethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The InChIKey is YINDIPLZJVTPCP-MLCWLASSSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-5-6-7-8-9-10-11-13-12(14)15-4-2/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,13,14)/b6-5-,10-9+.
What are the key properties of ethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
ethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate has a molecular weight of 211.30 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate is sourced from PubChem (CID 58895255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).