prop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate

C13H21NO2 — CID 58895298

IUPACprop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
SMILESC=C(C)OC(=O)NC/C=C/CC/C=C\CC
InChIInChI=1S/C13H21NO2/c1-4-5-6-7-8-9-10-11-14-13(15)16-12(2)3/h5-6,9-10H,2,4,7-8,11H2,1,3H3,(H,14,15)/b6-5-,10-9+
InChIKeyRRZDFVOXIOZKGX-MLCWLASSSA-N
MW223.32 g/mol
LogP3.55
Rot. Bonds7

About prop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate

prop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate (PubChem CID 58895298) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is prop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
PubChem CID58895298
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nameprop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
SMILESC=C(C)OC(=O)NC/C=C/CC/C=C\CC
InChIInChI=1S/C13H21NO2/c1-4-5-6-7-8-9-10-11-14-13(15)16-12(2)3/h5-6,9-10H,2,4,7-8,11H2,1,3H3,(H,14,15)/b6-5-,10-9+
InChIKeyRRZDFVOXIOZKGX-MLCWLASSSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The IUPAC name of prop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate (CID 58895298) is prop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate.
What is the SMILES notation for prop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The canonical SMILES for prop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate is C=C(C)OC(=O)NC/C=C/CC/C=C\CC.
What is the InChIKey of prop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The InChIKey is RRZDFVOXIOZKGX-MLCWLASSSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-5-6-7-8-9-10-11-14-13(15)16-12(2)3/h5-6,9-10H,2,4,7-8,11H2,1,3H3,(H,14,15)/b6-5-,10-9+.
What are the key properties of prop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
prop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate has a molecular weight of 223.32 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate is sourced from PubChem (CID 58895298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).