N-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine

C8H13NO3 — CID 15336967

IUPACN-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine
SMILESON=C1CCC2(CC1)OCCO2
InChIInChI=1S/C8H13NO3/c10-9-7-1-3-8(4-2-7)11-5-6-12-8/h10H,1-6H2
InChIKeyMGUVQIFYKYWSGP-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.13
Rot. Bonds

About N-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine

N-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine (PubChem CID 15336967) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine
PubChem CID15336967
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine
SMILESON=C1CCC2(CC1)OCCO2
InChIInChI=1S/C8H13NO3/c10-9-7-1-3-8(4-2-7)11-5-6-12-8/h10H,1-6H2
InChIKeyMGUVQIFYKYWSGP-UHFFFAOYSA-N
XLogP1.13
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.13
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-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine (CID 15336967) is N-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine is ON=C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine?
The InChIKey is MGUVQIFYKYWSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-9-7-1-3-8(4-2-7)11-5-6-12-8/h10H,1-6H2.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine?
N-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine has a molecular weight of 171.20 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine is sourced from PubChem (CID 15336967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).