(NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine

C9H13N3O3 — CID 5468422

IUPAC(NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine
SMILESCC1=NOC2(C1)/C(=N\O)CCC/C2=N/O
InChIInChI=1S/C9H13N3O3/c1-6-5-9(15-12-6)7(10-13)3-2-4-8(9)11-14/h13-14H,2-5H2,1H3/b10-7-,11-8-
InChIKeyWKDUYVGCDCDJJN-DEFDFUCDSA-N
MW211.22 g/mol
LogP1.37
Rot. Bonds

About (NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine

(NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine (PubChem CID 5468422) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is (NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine
PubChem CID5468422
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name(NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine
SMILESCC1=NOC2(C1)/C(=N\O)CCC/C2=N/O
InChIInChI=1S/C9H13N3O3/c1-6-5-9(15-12-6)7(10-13)3-2-4-8(9)11-14/h13-14H,2-5H2,1H3/b10-7-,11-8-
InChIKeyWKDUYVGCDCDJJN-DEFDFUCDSA-N
XLogP1.37
TPSA86.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine (CID 5468422) is (NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine is CC1=NOC2(C1)/C(=N\O)CCC/C2=N/O.
What is the InChIKey of (NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine?
The InChIKey is WKDUYVGCDCDJJN-DEFDFUCDSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-5-9(15-12-6)7(10-13)3-2-4-8(9)11-14/h13-14H,2-5H2,1H3/b10-7-,11-8-.
What are the key properties of (NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine?
(NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine has a molecular weight of 211.22 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(6Z)-6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene]hydroxylamine is sourced from PubChem (CID 5468422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).