N-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine

C18H29NO — CID 173329633

IUPACN-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine
SMILESON=C1C=CC2=C(CCCCCCCCCCCC2)C1
InChIInChI=1S/C18H29NO/c20-19-18-14-13-16-11-9-7-5-3-1-2-4-6-8-10-12-17(16)15-18/h13-14,20H,1-12,15H2
InChIKeyHUGCVKDWJBTTMB-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.77
Rot. Bonds

About N-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine

N-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine (PubChem CID 173329633) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine.

Molecular Properties

Compound NameN-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine
PubChem CID173329633
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine
SMILESON=C1C=CC2=C(CCCCCCCCCCCC2)C1
InChIInChI=1S/C18H29NO/c20-19-18-14-13-16-11-9-7-5-3-1-2-4-6-8-10-12-17(16)15-18/h13-14,20H,1-12,15H2
InChIKeyHUGCVKDWJBTTMB-UHFFFAOYSA-N
XLogP5.77
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine?
The IUPAC name of N-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine (CID 173329633) is N-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine.
What is the SMILES notation for N-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine?
The canonical SMILES for N-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine is ON=C1C=CC2=C(CCCCCCCCCCCC2)C1.
What is the InChIKey of N-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine?
The InChIKey is HUGCVKDWJBTTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c20-19-18-14-13-16-11-9-7-5-3-1-2-4-6-8-10-12-17(16)15-18/h13-14,20H,1-12,15H2.
What are the key properties of N-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine?
N-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine has a molecular weight of 275.44 g/mol, XLogP of 5.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(16-bicyclo[12.4.0]octadeca-1(14),17-dienylidene)hydroxylamine is sourced from PubChem (CID 173329633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).