4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide

C10H19N3O2 — CID 121202468

IUPAC4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide
SMILES[H]/N=C(\N)N1CCC2(CC1)CC(O)CCO2
InChIInChI=1S/C10H19N3O2/c11-9(12)13-4-2-10(3-5-13)7-8(14)1-6-15-10/h8,14H,1-7H2,(H3,11,12)
InChIKeyZYXLFLKDQHFBMV-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.11
Rot. Bonds

About 4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide

4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide (PubChem CID 121202468) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide.

Molecular Properties

Compound Name4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide
PubChem CID121202468
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide
SMILES[H]/N=C(\N)N1CCC2(CC1)CC(O)CCO2
InChIInChI=1S/C10H19N3O2/c11-9(12)13-4-2-10(3-5-13)7-8(14)1-6-15-10/h8,14H,1-7H2,(H3,11,12)
InChIKeyZYXLFLKDQHFBMV-UHFFFAOYSA-N
XLogP-0.11
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
CID 121203823
9-amino-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 121202469
1-(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-methylpentan-1-one
CID 110203435
2-chloro-1-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanone
CID 121203773
1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 56760832
(2S)-2-chloro-1-[(5R,9S)-9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 129498595
N'-hydroxy-2-(9-hydroxy-6-oxa-2-azaspiro[4.5]decan-2-yl)ethanimidamide
CID 121203782
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760
(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 110203454
ethyl (3R)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487951
2-(2-hydroxyethyl)-6-oxa-2-azaspiro[4.5]decan-9-ol
CID 121203771
ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487950

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide?
The IUPAC name of 4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide (CID 121202468) is 4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide.
What is the SMILES notation for 4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide?
The canonical SMILES for 4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide is [H]/N=C(\N)N1CCC2(CC1)CC(O)CCO2.
What is the InChIKey of 4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide?
The InChIKey is ZYXLFLKDQHFBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-9(12)13-4-2-10(3-5-13)7-8(14)1-6-15-10/h8,14H,1-7H2,(H3,11,12).
What are the key properties of 4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide?
4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide has a molecular weight of 213.28 g/mol, XLogP of -0.11, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboximidamide is sourced from PubChem (CID 121202468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).