1,2-diazacycloundecene;phthalic acid

C17H24N2O4 — CID 158639627

IUPAC1,2-diazacycloundecene;phthalic acid
SMILESC1CCCC/N=N\CCCC1.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C9H18N2.C8H6O4/c1-2-4-6-8-10-11-9-7-5-3-1;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-9H2;1-4H,(H,9,10)(H,11,12)/b11-10-;
InChIKeyIAFCQALRCAQAHO-GMFCBQQYSA-N
MW320.39 g/mol
LogP4.27
Rot. Bonds2

About 1,2-diazacycloundecene;phthalic acid

1,2-diazacycloundecene;phthalic acid (PubChem CID 158639627) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1,2-diazacycloundecene;phthalic acid.

Molecular Properties

Compound Name1,2-diazacycloundecene;phthalic acid
PubChem CID158639627
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1,2-diazacycloundecene;phthalic acid
SMILESC1CCCC/N=N\CCCC1.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C9H18N2.C8H6O4/c1-2-4-6-8-10-11-9-7-5-3-1;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-9H2;1-4H,(H,9,10)(H,11,12)/b11-10-;
InChIKeyIAFCQALRCAQAHO-GMFCBQQYSA-N
XLogP4.27
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 173000994
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Frequently Asked Questions

What is the IUPAC name of 1,2-diazacycloundecene;phthalic acid?
The IUPAC name of 1,2-diazacycloundecene;phthalic acid (CID 158639627) is 1,2-diazacycloundecene;phthalic acid.
What is the SMILES notation for 1,2-diazacycloundecene;phthalic acid?
The canonical SMILES for 1,2-diazacycloundecene;phthalic acid is C1CCCC/N=N\CCCC1.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of 1,2-diazacycloundecene;phthalic acid?
The InChIKey is IAFCQALRCAQAHO-GMFCBQQYSA-N. The full InChI is InChI=1S/C9H18N2.C8H6O4/c1-2-4-6-8-10-11-9-7-5-3-1;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-9H2;1-4H,(H,9,10)(H,11,12)/b11-10-;.
What are the key properties of 1,2-diazacycloundecene;phthalic acid?
1,2-diazacycloundecene;phthalic acid has a molecular weight of 320.39 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diazacycloundecene;phthalic acid is sourced from PubChem (CID 158639627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).