4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol

C10H21NO2 — CID 6510139

IUPAC4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol
SMILESCCCC(O)(CCC)/C(C)=N\OC
InChIInChI=1S/C10H21NO2/c1-5-7-10(12,8-6-2)9(3)11-13-4/h12H,5-8H2,1-4H3/b11-9-
InChIKeyQXVYDTAETOMIQT-LUAWRHEFSA-N
MW187.28 g/mol
LogP2.34
Rot. Bonds6

About 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol

4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol (PubChem CID 6510139) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol.

Molecular Properties

Compound Name4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol
PubChem CID6510139
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol
SMILESCCCC(O)(CCC)/C(C)=N\OC
InChIInChI=1S/C10H21NO2/c1-5-7-10(12,8-6-2)9(3)11-13-4/h12H,5-8H2,1-4H3/b11-9-
InChIKeyQXVYDTAETOMIQT-LUAWRHEFSA-N
XLogP2.34
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol?
The IUPAC name of 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol (CID 6510139) is 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol.
What is the SMILES notation for 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol?
The canonical SMILES for 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol is CCCC(O)(CCC)/C(C)=N\OC.
What is the InChIKey of 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol?
The InChIKey is QXVYDTAETOMIQT-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-7-10(12,8-6-2)9(3)11-13-4/h12H,5-8H2,1-4H3/b11-9-.
What are the key properties of 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol?
4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol has a molecular weight of 187.28 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]heptan-4-ol is sourced from PubChem (CID 6510139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).