1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol

C9H17NO2 — CID 6510136

IUPAC1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol
SMILESCO/N=C(/C)C1(O)CCCCC1
InChIInChI=1S/C9H17NO2/c1-8(10-12-2)9(11)6-4-3-5-7-9/h11H,3-7H2,1-2H3/b10-8-
InChIKeyKCQRMTZJRMLATE-NTMALXAHSA-N
MW171.24 g/mol
LogP1.70
Rot. Bonds2

About 1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol

1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol (PubChem CID 6510136) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol
PubChem CID6510136
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol
SMILESCO/N=C(/C)C1(O)CCCCC1
InChIInChI=1S/C9H17NO2/c1-8(10-12-2)9(11)6-4-3-5-7-9/h11H,3-7H2,1-2H3/b10-8-
InChIKeyKCQRMTZJRMLATE-NTMALXAHSA-N
XLogP1.70
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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
2-Hexanone, 3-hydroxy-3-methyl-, O-ethyloxime
CID 6509924
2-Hexanone, 3-hydroxy-3-methyl-, O-methyloxime
CID 6509925
Ethanone, 1-(1-hydroxycyclohexyl)-, O-ethyloxime
CID 6510137
2-Hexanone, 3-hydroxy-3-propyl-, O-methyloxime
CID 6510139
2-Hexanone, 3-hydroxy-3-propyl-, O-ethyloxime
CID 6510140
Ethanone, 1-(1-hydroxycyclohexyl)-, O-2-propenyloxime
CID 9588906
5-Dodecanone, 6-butyl-6-hydroxy-, oxime
CID 90844
7-Butyl-7-hydroxydodecan-6-one oxime
CID 88328303
(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

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol?
The IUPAC name of 1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol (CID 6510136) is 1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol is CO/N=C(/C)C1(O)CCCCC1.
What is the InChIKey of 1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol?
The InChIKey is KCQRMTZJRMLATE-NTMALXAHSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(10-12-2)9(11)6-4-3-5-7-9/h11H,3-7H2,1-2H3/b10-8-.
What are the key properties of 1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol?
1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol has a molecular weight of 171.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-N-methoxy-C-methylcarbonimidoyl]cyclohexan-1-ol is sourced from PubChem (CID 6510136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).