(6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one

C12H18N2O2 — CID 6516263

IUPAC(6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one
SMILESO=C1NC2(CCCC2)/C(=N\O)C12CCCC2
InChIInChI=1S/C12H18N2O2/c15-10-11(5-1-2-6-11)9(14-16)12(13-10)7-3-4-8-12/h16H,1-8H2,(H,13,15)/b14-9-
InChIKeyGUYVWOZQZLLUDM-ZROIWOOFSA-N
MW222.29 g/mol
LogP1.82
Rot. Bonds

About (6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one

(6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one (PubChem CID 6516263) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one.

Molecular Properties

Compound Name(6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one
PubChem CID6516263
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one
SMILESO=C1NC2(CCCC2)/C(=N\O)C12CCCC2
InChIInChI=1S/C12H18N2O2/c15-10-11(5-1-2-6-11)9(14-16)12(13-10)7-3-4-8-12/h16H,1-8H2,(H,13,15)/b14-9-
InChIKeyGUYVWOZQZLLUDM-ZROIWOOFSA-N
XLogP1.82
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

CID 12710746
CID 12710746
5,10-diazadispiro[2.2.26.23]decane-4,9-dione
CID 67427050
4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one
CID 89405315
8,11-diazaspiro[5.6]dodecane-7,12-dione
CID 82469216
8,8-dimethyl-9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107902275
9,9,20,20-tetramethyl-7,18-dioxa-11,22-diazadispiro[4.6.412.65]docosane-6,10,17,21-tetrone
CID 102387473
8-methyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887442
9-ethyl-8,8-dimethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886492
(3aS,7aR)-3a,7a-dihydroxy-1,3,4,5,6,7-hexahydrobenzimidazol-2-one
CID 131053680
14-[(E)-but-2-enyl]-6,14-diazadispiro[4.2.58.25]pentadecane-7,15-dione
CID 107898324
4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107902269
9-(3-methylbut-2-enyl)-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107902251

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one?
The IUPAC name of (6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one (CID 6516263) is (6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one.
What is the SMILES notation for (6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one?
The canonical SMILES for (6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one is O=C1NC2(CCCC2)/C(=N\O)C12CCCC2.
What is the InChIKey of (6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one?
The InChIKey is GUYVWOZQZLLUDM-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-10-11(5-1-2-6-11)9(14-16)12(13-10)7-3-4-8-12/h16H,1-8H2,(H,13,15)/b14-9-.
What are the key properties of (6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one?
(6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one has a molecular weight of 222.29 g/mol, XLogP of 1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one is sourced from PubChem (CID 6516263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).