N-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride

C9H14ClNO3 — CID 72750828

IUPACN-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride
SMILESON=C(Cl)C1COC2(CCCCC2)O1
InChIInChI=1S/C9H14ClNO3/c10-8(11-12)7-6-13-9(14-7)4-2-1-3-5-9/h7,12H,1-6H2
InChIKeyFHWDQLCHWMIDCB-UHFFFAOYSA-N
MW219.67 g/mol
LogP2.09
Rot. Bonds1

About N-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride

N-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride (PubChem CID 72750828) has the molecular formula C9H14ClNO3 and a molecular weight of 219.67 g/mol. Its IUPAC name is N-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride.

Molecular Properties

Compound NameN-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride
PubChem CID72750828
Molecular FormulaC9H14ClNO3
Molecular Weight219.67 g/mol
Exact Mass219.07
IUPAC NameN-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride
SMILESON=C(Cl)C1COC2(CCCCC2)O1
InChIInChI=1S/C9H14ClNO3/c10-8(11-12)7-6-13-9(14-7)4-2-1-3-5-9/h7,12H,1-6H2
InChIKeyFHWDQLCHWMIDCB-UHFFFAOYSA-N
XLogP2.09
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 52.09
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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Related Compounds

(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]guanidine
CID 45356255
(3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol
CID 101424166
(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
CID 10855919
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
(Z)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol
CID 13182088
(2S)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2-hydroxyacetonitrile
CID 101092825
(E)-4-(1,4-dioxaspiro[4.5]decan-3-yl)but-3-en-2-one
CID 15758947
bis(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanone
CID 91390637
(14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane
CID 135028450
(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-iodoprop-2-en-1-ol
CID 23656042
(3aR,4R,6aR)-4-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]
CID 154535606

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride?
The IUPAC name of N-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride (CID 72750828) is N-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride.
What is the SMILES notation for N-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride?
The canonical SMILES for N-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride is ON=C(Cl)C1COC2(CCCCC2)O1.
What is the InChIKey of N-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride?
The InChIKey is FHWDQLCHWMIDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO3/c10-8(11-12)7-6-13-9(14-7)4-2-1-3-5-9/h7,12H,1-6H2.
What are the key properties of N-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride?
N-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride has a molecular weight of 219.67 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride is sourced from PubChem (CID 72750828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).