methyl 6-hydroxy-5-iminohexanimidate

C7H14N2O2 — CID 88554259

IUPACmethyl 6-hydroxy-5-iminohexanimidate
SMILES[H]/N=C(\CO)CCC/C(=N/[H])OC
InChIInChI=1S/C7H14N2O2/c1-11-7(9)4-2-3-6(8)5-10/h8-10H,2-5H2,1H3/b8-6-,9-7-
InChIKeyQSQXRCXDHFNCOY-VRHVFUOLSA-N
MW158.20 g/mol
LogP0.79
Rot. Bonds5

About methyl 6-hydroxy-5-iminohexanimidate

methyl 6-hydroxy-5-iminohexanimidate (PubChem CID 88554259) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 6-hydroxy-5-iminohexanimidate.

Molecular Properties

Compound Namemethyl 6-hydroxy-5-iminohexanimidate
PubChem CID88554259
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl 6-hydroxy-5-iminohexanimidate
SMILES[H]/N=C(\CO)CCC/C(=N/[H])OC
InChIInChI=1S/C7H14N2O2/c1-11-7(9)4-2-3-6(8)5-10/h8-10H,2-5H2,1H3/b8-6-,9-7-
InChIKeyQSQXRCXDHFNCOY-VRHVFUOLSA-N
XLogP0.79
TPSA77.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-5-iminohexanimidate?
The IUPAC name of methyl 6-hydroxy-5-iminohexanimidate (CID 88554259) is methyl 6-hydroxy-5-iminohexanimidate.
What is the SMILES notation for methyl 6-hydroxy-5-iminohexanimidate?
The canonical SMILES for methyl 6-hydroxy-5-iminohexanimidate is [H]/N=C(\CO)CCC/C(=N/[H])OC.
What is the InChIKey of methyl 6-hydroxy-5-iminohexanimidate?
The InChIKey is QSQXRCXDHFNCOY-VRHVFUOLSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-11-7(9)4-2-3-6(8)5-10/h8-10H,2-5H2,1H3/b8-6-,9-7-.
What are the key properties of methyl 6-hydroxy-5-iminohexanimidate?
methyl 6-hydroxy-5-iminohexanimidate has a molecular weight of 158.20 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-5-iminohexanimidate is sourced from PubChem (CID 88554259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).