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

C11H23NO2 — CID 6510140

IUPAC4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol
SMILESCCCC(O)(CCC)/C(C)=N\OCC
InChIInChI=1S/C11H23NO2/c1-5-8-11(13,9-6-2)10(4)12-14-7-3/h13H,5-9H2,1-4H3/b12-10-
InChIKeyBWYWOFIWDZMZRY-BENRWUELSA-N
MW201.31 g/mol
LogP2.73
Rot. Bonds7

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

4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol (PubChem CID 6510140) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol.

Molecular Properties

Compound Name4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol
PubChem CID6510140
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol
SMILESCCCC(O)(CCC)/C(C)=N\OCC
InChIInChI=1S/C11H23NO2/c1-5-8-11(13,9-6-2)10(4)12-14-7-3/h13H,5-9H2,1-4H3/b12-10-
InChIKeyBWYWOFIWDZMZRY-BENRWUELSA-N
XLogP2.73
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.73
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-ethoxy-C-methylcarbonimidoyl]heptan-4-ol?
The IUPAC name of 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol (CID 6510140) is 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol.
What is the SMILES notation for 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol?
The canonical SMILES for 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol is CCCC(O)(CCC)/C(C)=N\OCC.
What is the InChIKey of 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol?
The InChIKey is BWYWOFIWDZMZRY-BENRWUELSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-8-11(13,9-6-2)10(4)12-14-7-3/h13H,5-9H2,1-4H3/b12-10-.
What are the key properties of 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol?
4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol has a molecular weight of 201.31 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol is sourced from PubChem (CID 6510140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).