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

C13H23NO2 — CID 58895205

IUPACpropyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
SMILESCC/C=C\CC/C=C/CNC(=O)OCCC
InChIInChI=1S/C13H23NO2/c1-3-5-6-7-8-9-10-11-14-13(15)16-12-4-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3,(H,14,15)/b6-5-,10-9+
InChIKeyVVPHOTSQTOGRPD-MLCWLASSSA-N
MW225.33 g/mol
LogP3.43
Rot. Bonds8

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

propyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate (PubChem CID 58895205) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is propyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate.

Molecular Properties

Compound Namepropyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
PubChem CID58895205
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namepropyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
SMILESCC/C=C\CC/C=C/CNC(=O)OCCC
InChIInChI=1S/C13H23NO2/c1-3-5-6-7-8-9-10-11-14-13(15)16-12-4-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3,(H,14,15)/b6-5-,10-9+
InChIKeyVVPHOTSQTOGRPD-MLCWLASSSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.43
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 propyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The IUPAC name of propyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate (CID 58895205) is propyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate.
What is the SMILES notation for propyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The canonical SMILES for propyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate is CC/C=C\CC/C=C/CNC(=O)OCCC.
What is the InChIKey of propyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The InChIKey is VVPHOTSQTOGRPD-MLCWLASSSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-5-6-7-8-9-10-11-14-13(15)16-12-4-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3,(H,14,15)/b6-5-,10-9+.
What are the key properties of propyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
propyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate has a molecular weight of 225.33 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate is sourced from PubChem (CID 58895205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).