(Z)-(113C)octadec-9-enamide

C18H35NO — CID 175811454

IUPAC(Z)-(113C)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCC[13C](N)=O
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-/i18+1
InChIKeyFATBGEAMYMYZAF-OLLJCFGNSA-N
MW282.48 g/mol
LogP5.51
Rot. Bonds15

About (Z)-(113C)octadec-9-enamide

(Z)-(113C)octadec-9-enamide (PubChem CID 175811454) has the molecular formula C18H35NO and a molecular weight of 282.48 g/mol. Its IUPAC name is (Z)-(113C)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-(113C)octadec-9-enamide
PubChem CID175811454
Molecular FormulaC18H35NO
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name(Z)-(113C)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCC[13C](N)=O
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-/i18+1
InChIKeyFATBGEAMYMYZAF-OLLJCFGNSA-N
XLogP5.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-octadec-9-enamide;platinum
CID 174872668
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
indigane;(Z)-octadec-9-enamide
CID 174921402
ethanamine;(Z)-octadec-9-enamide
CID 174881781
mercury;(Z)-octadec-9-enamide;hydrochloride
CID 175499195
(Z)-octadec-9-enamide;propan-1-ol
CID 174914657
calcium;(Z)-octadec-9-enamide;carbonate
CID 87780196

Frequently Asked Questions

What is the IUPAC name of (Z)-(113C)octadec-9-enamide?
The IUPAC name of (Z)-(113C)octadec-9-enamide (CID 175811454) is (Z)-(113C)octadec-9-enamide.
What is the SMILES notation for (Z)-(113C)octadec-9-enamide?
The canonical SMILES for (Z)-(113C)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCC[13C](N)=O.
What is the InChIKey of (Z)-(113C)octadec-9-enamide?
The InChIKey is FATBGEAMYMYZAF-OLLJCFGNSA-N. The full InChI is InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-/i18+1.
What are the key properties of (Z)-(113C)octadec-9-enamide?
(Z)-(113C)octadec-9-enamide has a molecular weight of 282.48 g/mol, XLogP of 5.51, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(113C)octadec-9-enamide is sourced from PubChem (CID 175811454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).