(NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine

C9H15NO3 — CID 118230325

IUPAC(NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine
SMILESCC1CC2(CC/C1=N\O)OCCO2
InChIInChI=1S/C9H15NO3/c1-7-6-9(12-4-5-13-9)3-2-8(7)10-11/h7,11H,2-6H2,1H3/b10-8+
InChIKeyOZFRCPXGBGTMJG-CSKARUKUSA-N
MW185.22 g/mol
LogP1.38
Rot. Bonds

About (NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine

(NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine (PubChem CID 118230325) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine
PubChem CID118230325
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine
SMILESCC1CC2(CC/C1=N\O)OCCO2
InChIInChI=1S/C9H15NO3/c1-7-6-9(12-4-5-13-9)3-2-8(7)10-11/h7,11H,2-6H2,1H3/b10-8+
InChIKeyOZFRCPXGBGTMJG-CSKARUKUSA-N
XLogP1.38
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 ≤ 51.38
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 (NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine (CID 118230325) is (NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine is CC1CC2(CC/C1=N\O)OCCO2.
What is the InChIKey of (NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine?
The InChIKey is OZFRCPXGBGTMJG-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7-6-9(12-4-5-13-9)3-2-8(7)10-11/h7,11H,2-6H2,1H3/b10-8+.
What are the key properties of (NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine?
(NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine has a molecular weight of 185.22 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine is sourced from PubChem (CID 118230325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).