but-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate

C14H23NO2 — CID 58895287

IUPACbut-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
SMILESC=CCCOC(=O)NC/C=C/CC/C=C\CC
InChIInChI=1S/C14H23NO2/c1-3-5-7-8-9-10-11-12-15-14(16)17-13-6-4-2/h4-5,7,10-11H,2-3,6,8-9,12-13H2,1H3,(H,15,16)/b7-5-,11-10+
InChIKeyXJBKFEHPZYVMAO-OLCNXZRBSA-N
MW237.34 g/mol
LogP3.59
Rot. Bonds9

About but-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate

but-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate (PubChem CID 58895287) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is but-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate.

Molecular Properties

Compound Namebut-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
PubChem CID58895287
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Namebut-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
SMILESC=CCCOC(=O)NC/C=C/CC/C=C\CC
InChIInChI=1S/C14H23NO2/c1-3-5-7-8-9-10-11-12-15-14(16)17-13-6-4-2/h4-5,7,10-11H,2-3,6,8-9,12-13H2,1H3,(H,15,16)/b7-5-,11-10+
InChIKeyXJBKFEHPZYVMAO-OLCNXZRBSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.59
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 but-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The IUPAC name of but-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate (CID 58895287) is but-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate.
What is the SMILES notation for but-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The canonical SMILES for but-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate is C=CCCOC(=O)NC/C=C/CC/C=C\CC.
What is the InChIKey of but-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The InChIKey is XJBKFEHPZYVMAO-OLCNXZRBSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-7-8-9-10-11-12-15-14(16)17-13-6-4-2/h4-5,7,10-11H,2-3,6,8-9,12-13H2,1H3,(H,15,16)/b7-5-,11-10+.
What are the key properties of but-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
but-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate has a molecular weight of 237.34 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate is sourced from PubChem (CID 58895287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).