cis-(1S,2R)-2-methanimidoylcyclohexan-1-ol

C7H13NO — CID 102087753

IUPACcis-(1S,2R)-2-methanimidoylcyclohexan-1-ol
SMILES[H]/N=C/[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C7H13NO/c8-5-6-3-1-2-4-7(6)9/h5-9H,1-4H2/b8-5+/t6-,7+/m1/s1
InChIKeyNPJGJBFBTXLWDQ-YVQXEBPBSA-N
MW127.19 g/mol
LogP1.19
Rot. Bonds1

About cis-(1S,2R)-2-methanimidoylcyclohexan-1-ol

cis-(1S,2R)-2-methanimidoylcyclohexan-1-ol (PubChem CID 102087753) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is cis-(1S,2R)-2-methanimidoylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-methanimidoylcyclohexan-1-ol
PubChem CID102087753
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Namecis-(1S,2R)-2-methanimidoylcyclohexan-1-ol
SMILES[H]/N=C/[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C7H13NO/c8-5-6-3-1-2-4-7(6)9/h5-9H,1-4H2/b8-5+/t6-,7+/m1/s1
InChIKeyNPJGJBFBTXLWDQ-YVQXEBPBSA-N
XLogP1.19
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-(hydroxyhydrazono)methyl]cyclohexanol
CID 9575473
Cyclohexanecarboxaldehyde, 2-hydroxy-, hydrazone
CID 9575474
(4-Methanimidoylcyclohexyl)methanol
CID 57190486
2-(1-Hydroxyethyl)hexylideneazanium
CID 57225902
2-Methanimidoylcyclohexan-1-ol
CID 89209200
2-Methanimidoyl-4-methoxycyclohexan-1-ol
CID 89209201
2-Methanimidoylcyclohexane-1,4-diol
CID 89209202
[(2S)-2-methanimidoylcyclohexyl]methanol
CID 89416459
4-Methanimidoylcyclohexan-1-ol
CID 91062331
cis-(1R,2S)-2-methanimidoylcyclohexan-1-ol
CID 129259313
2-(Hydroxyiminomethyl)cyclohexan-1-ol
CID 140440052
2-(Methyliminomethyl)cyclohexan-1-ol
CID 140508996

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methanimidoylcyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-methanimidoylcyclohexan-1-ol (CID 102087753) is cis-(1S,2R)-2-methanimidoylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-methanimidoylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-methanimidoylcyclohexan-1-ol is [H]/N=C/[C@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-methanimidoylcyclohexan-1-ol?
The InChIKey is NPJGJBFBTXLWDQ-YVQXEBPBSA-N. The full InChI is InChI=1S/C7H13NO/c8-5-6-3-1-2-4-7(6)9/h5-9H,1-4H2/b8-5+/t6-,7+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methanimidoylcyclohexan-1-ol?
cis-(1S,2R)-2-methanimidoylcyclohexan-1-ol has a molecular weight of 127.19 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methanimidoylcyclohexan-1-ol is sourced from PubChem (CID 102087753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).