(Z)-octadec-9-enamide;hydrobromide

C18H36BrNO — CID 146504042

IUPAC(Z)-octadec-9-enamide;hydrobromide
SMILESBr.CCCCCCCC/C=C\CCCCCCCC(N)=O
InChIInChI=1S/C18H35NO.BrH/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);1H/b10-9-;
InChIKeyDBTONVIJCSBWKI-KVVVOXFISA-N
MW362.40 g/mol
LogP6.09
Rot. Bonds15

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

(Z)-octadec-9-enamide;hydrobromide (PubChem CID 146504042) has the molecular formula C18H36BrNO and a molecular weight of 362.40 g/mol. Its IUPAC name is (Z)-octadec-9-enamide;hydrobromide.

Molecular Properties

Compound Name(Z)-octadec-9-enamide;hydrobromide
PubChem CID146504042
Molecular FormulaC18H36BrNO
Molecular Weight362.40 g/mol
Exact Mass361.20
IUPAC Name(Z)-octadec-9-enamide;hydrobromide
SMILESBr.CCCCCCCC/C=C\CCCCCCCC(N)=O
InChIInChI=1S/C18H35NO.BrH/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);1H/b10-9-;
InChIKeyDBTONVIJCSBWKI-KVVVOXFISA-N
XLogP6.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 56.09
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
indigane;(Z)-octadec-9-enamide
CID 174921402
mercury;(Z)-octadec-9-enamide;hydrochloride
CID 175499195
ethanamine;(Z)-octadec-9-enamide
CID 174881781
(Z)-octadec-9-enamide;propan-1-ol
CID 174914657
bis((Z)-hexadec-9-enamide);prop-1-ene
CID 158850340

Frequently Asked Questions

What is the IUPAC name of (Z)-octadec-9-enamide;hydrobromide?
The IUPAC name of (Z)-octadec-9-enamide;hydrobromide (CID 146504042) is (Z)-octadec-9-enamide;hydrobromide.
What is the SMILES notation for (Z)-octadec-9-enamide;hydrobromide?
The canonical SMILES for (Z)-octadec-9-enamide;hydrobromide is Br.CCCCCCCC/C=C\CCCCCCCC(N)=O.
What is the InChIKey of (Z)-octadec-9-enamide;hydrobromide?
The InChIKey is DBTONVIJCSBWKI-KVVVOXFISA-N. The full InChI is InChI=1S/C18H35NO.BrH/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);1H/b10-9-;.
What are the key properties of (Z)-octadec-9-enamide;hydrobromide?
(Z)-octadec-9-enamide;hydrobromide has a molecular weight of 362.40 g/mol, XLogP of 6.09, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-9-enamide;hydrobromide is sourced from PubChem (CID 146504042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).