N-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine

C9H15NO3 — CID 22918654

IUPACN-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine
SMILESON=C1COC2(CCCCC2)OC1
InChIInChI=1S/C9H15NO3/c11-10-8-6-12-9(13-7-8)4-2-1-3-5-9/h11H,1-7H2
InChIKeyHJBZLLPMCUSIEP-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.52
Rot. Bonds

About N-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine

N-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine (PubChem CID 22918654) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine
PubChem CID22918654
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine
SMILESON=C1COC2(CCCCC2)OC1
InChIInChI=1S/C9H15NO3/c11-10-8-6-12-9(13-7-8)4-2-1-3-5-9/h11H,1-7H2
InChIKeyHJBZLLPMCUSIEP-UHFFFAOYSA-N
XLogP1.52
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine?
The IUPAC name of N-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine (CID 22918654) is N-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine?
The canonical SMILES for N-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine is ON=C1COC2(CCCCC2)OC1.
What is the InChIKey of N-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine?
The InChIKey is HJBZLLPMCUSIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-10-8-6-12-9(13-7-8)4-2-1-3-5-9/h11H,1-7H2.
What are the key properties of N-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine?
N-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine has a molecular weight of 185.22 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dioxaspiro[5.5]undecan-3-ylidene)hydroxylamine is sourced from PubChem (CID 22918654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).