4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate

C11H19NO4S — CID 18594978

IUPAC4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate
SMILESCO/N=C1/CCC=C1CCCCOS(C)(=O)=O
InChIInChI=1S/C11H19NO4S/c1-15-12-11-8-5-7-10(11)6-3-4-9-16-17(2,13)14/h7H,3-6,8-9H2,1-2H3/b12-11-
InChIKeyKBQTVKHLROAXGT-QXMHVHEDSA-N
MW261.34 g/mol
LogP1.86
Rot. Bonds7

About 4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate

4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate (PubChem CID 18594978) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate.

Molecular Properties

Compound Name4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate
PubChem CID18594978
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate
SMILESCO/N=C1/CCC=C1CCCCOS(C)(=O)=O
InChIInChI=1S/C11H19NO4S/c1-15-12-11-8-5-7-10(11)6-3-4-9-16-17(2,13)14/h7H,3-6,8-9H2,1-2H3/b12-11-
InChIKeyKBQTVKHLROAXGT-QXMHVHEDSA-N
XLogP1.86
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate?
The IUPAC name of 4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate (CID 18594978) is 4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate.
What is the SMILES notation for 4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate?
The canonical SMILES for 4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate is CO/N=C1/CCC=C1CCCCOS(C)(=O)=O.
What is the InChIKey of 4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate?
The InChIKey is KBQTVKHLROAXGT-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-15-12-11-8-5-7-10(11)6-3-4-9-16-17(2,13)14/h7H,3-6,8-9H2,1-2H3/b12-11-.
What are the key properties of 4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate?
4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate has a molecular weight of 261.34 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5Z)-5-methoxyiminocyclopenten-1-yl]butyl methanesulfonate is sourced from PubChem (CID 18594978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).