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

C13H21NO2 — CID 58895295

IUPACprop-2-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
SMILESC=CCOC(=O)NC/C=C/CC/C=C\CC
InChIInChI=1S/C13H21NO2/c1-3-5-6-7-8-9-10-11-14-13(15)16-12-4-2/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,14,15)/b6-5-,10-9+
InChIKeyAIORIEUPDOBEFO-MLCWLASSSA-N
MW223.32 g/mol
LogP3.20
Rot. Bonds8

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

prop-2-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate (PubChem CID 58895295) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is prop-2-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
PubChem CID58895295
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nameprop-2-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
SMILESC=CCOC(=O)NC/C=C/CC/C=C\CC
InChIInChI=1S/C13H21NO2/c1-3-5-6-7-8-9-10-11-14-13(15)16-12-4-2/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,14,15)/b6-5-,10-9+
InChIKeyAIORIEUPDOBEFO-MLCWLASSSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.20
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 prop-2-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The IUPAC name of prop-2-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate (CID 58895295) is prop-2-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The canonical SMILES for prop-2-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate is C=CCOC(=O)NC/C=C/CC/C=C\CC.
What is the InChIKey of prop-2-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The InChIKey is AIORIEUPDOBEFO-MLCWLASSSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-5-6-7-8-9-10-11-14-13(15)16-12-4-2/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,14,15)/b6-5-,10-9+.
What are the key properties of prop-2-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
prop-2-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate has a molecular weight of 223.32 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate is sourced from PubChem (CID 58895295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).