1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol

C8H15NO2 — CID 5406362

IUPAC1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol
SMILESC/C(=N\O)C1(O)CCCCC1
InChIInChI=1S/C8H15NO2/c1-7(9-11)8(10)5-3-2-4-6-8/h10-11H,2-6H2,1H3/b9-7+
InChIKeyYFANJPJRNSLQKV-VQHVLOKHSA-N
MW157.21 g/mol
LogP1.53
Rot. Bonds1

About 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol

1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol (PubChem CID 5406362) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol
PubChem CID5406362
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol
SMILESC/C(=N\O)C1(O)CCCCC1
InChIInChI=1S/C8H15NO2/c1-7(9-11)8(10)5-3-2-4-6-8/h10-11H,2-6H2,1H3/b9-7+
InChIKeyYFANJPJRNSLQKV-VQHVLOKHSA-N
XLogP1.53
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.53
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

(6E,10E)-N,N'-dihydroxy-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-6,10-diimine
CID 9571901
Ethanone, 1-(1-hydroxycyclohexyl)-, O-methyloxime
CID 6510136
Ethanone, 1-(1-hydroxycyclohexyl)-, O-ethyloxime
CID 6510137
5-Dodecanone, 6-butyl-6-hydroxy-, oxime
CID 90844
7-Butyl-7-hydroxydodecan-6-one oxime
CID 88328303
4-Hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
CID 163295641
(5E)-5-hydroxyimino-4-propyloctan-4-ol
CID 6382115
4-[(E)-N-hydroxy-C-methylcarbonimidoyl]heptan-4-ol
CID 9555311
5-[(E)-N-hydroxy-C-methylcarbonimidoyl]nonan-5-ol
CID 9555312
Diethyl hydroxy dodecanone oxime
CID 129821308
N-(6-hydroxyimino-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-10-ylidene)hydroxylamine
CID 382420
2-Methyl-4-oxa-3-azaspiro[4.5]dec-2-ene-6,10-dione oxime
CID 5416060

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol (CID 5406362) is 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol is C/C(=N\O)C1(O)CCCCC1.
What is the InChIKey of 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol?
The InChIKey is YFANJPJRNSLQKV-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(9-11)8(10)5-3-2-4-6-8/h10-11H,2-6H2,1H3/b9-7+.
What are the key properties of 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol?
1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol has a molecular weight of 157.21 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-N-hydroxy-C-methylcarbonimidoyl]cyclohexan-1-ol is sourced from PubChem (CID 5406362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).