indigane;(Z)-octadec-9-enamide

C18H38InNO — CID 174921402

IUPACindigane;(Z)-octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.[InH3]
InChIInChI=1S/C18H35NO.In.3H/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-;;;;
InChIKeyRLFIJDHXMZCMGR-HKIWRJGFSA-N
MW399.33 g/mol
LogP4.33
Rot. Bonds15

About indigane;(Z)-octadec-9-enamide

indigane;(Z)-octadec-9-enamide (PubChem CID 174921402) has the molecular formula C18H38InNO and a molecular weight of 399.33 g/mol. Its IUPAC name is indigane;(Z)-octadec-9-enamide.

Molecular Properties

Compound Nameindigane;(Z)-octadec-9-enamide
PubChem CID174921402
Molecular FormulaC18H38InNO
Molecular Weight399.33 g/mol
Exact Mass399.20
IUPAC Nameindigane;(Z)-octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.[InH3]
InChIInChI=1S/C18H35NO.In.3H/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-;;;;
InChIKeyRLFIJDHXMZCMGR-HKIWRJGFSA-N
XLogP4.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 54.33
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)-(113C)octadec-9-enamide
CID 175811454
(Z)-octadec-9-enamide;platinum
CID 174872668
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
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 indigane;(Z)-octadec-9-enamide?
The IUPAC name of indigane;(Z)-octadec-9-enamide (CID 174921402) is indigane;(Z)-octadec-9-enamide.
What is the SMILES notation for indigane;(Z)-octadec-9-enamide?
The canonical SMILES for indigane;(Z)-octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(N)=O.[InH3].
What is the InChIKey of indigane;(Z)-octadec-9-enamide?
The InChIKey is RLFIJDHXMZCMGR-HKIWRJGFSA-N. The full InChI is InChI=1S/C18H35NO.In.3H/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-;;;;.
What are the key properties of indigane;(Z)-octadec-9-enamide?
indigane;(Z)-octadec-9-enamide has a molecular weight of 399.33 g/mol, XLogP of 4.33, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for indigane;(Z)-octadec-9-enamide is sourced from PubChem (CID 174921402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).