2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid

C22H39NO3 — CID 146568343

IUPAC2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid
SMILESO=C(O)CN1CCCCCCCCC/C=C\CCCCCCCCC1=O
InChIInChI=1S/C22H39NO3/c24-21-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-23(21)20-22(25)26/h1-2H,3-20H2,(H,25,26)/b2-1-
InChIKeyZISGRYOWCKNYAJ-UPHRSURJSA-N
MW365.56 g/mol
LogP5.71
Rot. Bonds2

About 2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid

2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid (PubChem CID 146568343) has the molecular formula C22H39NO3 and a molecular weight of 365.56 g/mol. Its IUPAC name is 2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid
PubChem CID146568343
Molecular FormulaC22H39NO3
Molecular Weight365.56 g/mol
Exact Mass365.29
IUPAC Name2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid
SMILESO=C(O)CN1CCCCCCCCC/C=C\CCCCCCCCC1=O
InChIInChI=1S/C22H39NO3/c24-21-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-23(21)20-22(25)26/h1-2H,3-20H2,(H,25,26)/b2-1-
InChIKeyZISGRYOWCKNYAJ-UPHRSURJSA-N
XLogP5.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(2-pyrrolidin-1-ylprop-2-enyl)azepan-2-one
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CID 62023147

Frequently Asked Questions

What is the IUPAC name of 2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid?
The IUPAC name of 2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid (CID 146568343) is 2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid.
What is the SMILES notation for 2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid?
The canonical SMILES for 2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid is O=C(O)CN1CCCCCCCCC/C=C\CCCCCCCCC1=O.
What is the InChIKey of 2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid?
The InChIKey is ZISGRYOWCKNYAJ-UPHRSURJSA-N. The full InChI is InChI=1S/C22H39NO3/c24-21-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-23(21)20-22(25)26/h1-2H,3-20H2,(H,25,26)/b2-1-.
What are the key properties of 2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid?
2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid has a molecular weight of 365.56 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid is sourced from PubChem (CID 146568343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).