(3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione

C18H14N2O4 — CID 6393556

IUPAC(3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione
SMILESO=c1[nH]/c(=C/c2cccc(O)c2)c(=O)[nH]/c1=C\c1cccc(O)c1
InChIInChI=1S/C18H14N2O4/c21-13-5-1-3-11(7-13)9-15-17(23)20-16(18(24)19-15)10-12-4-2-6-14(22)8-12/h1-10,21-22H,(H,19,24)(H,20,23)/b15-9-,16-10+
InChIKeyKKEUNBNPGVHQQB-CKOAPEAFSA-N
MW322.32 g/mol
LogP0.13
Rot. Bonds2

About (3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione

(3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione (PubChem CID 6393556) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is (3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione
PubChem CID6393556
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name(3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione
SMILESO=c1[nH]/c(=C/c2cccc(O)c2)c(=O)[nH]/c1=C\c1cccc(O)c1
InChIInChI=1S/C18H14N2O4/c21-13-5-1-3-11(7-13)9-15-17(23)20-16(18(24)19-15)10-12-4-2-6-14(22)8-12/h1-10,21-22H,(H,19,24)(H,20,23)/b15-9-,16-10+
InChIKeyKKEUNBNPGVHQQB-CKOAPEAFSA-N
XLogP0.13
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione?
The IUPAC name of (3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione (CID 6393556) is (3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for (3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione is O=c1[nH]/c(=C/c2cccc(O)c2)c(=O)[nH]/c1=C\c1cccc(O)c1.
What is the InChIKey of (3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione?
The InChIKey is KKEUNBNPGVHQQB-CKOAPEAFSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-13-5-1-3-11(7-13)9-15-17(23)20-16(18(24)19-15)10-12-4-2-6-14(22)8-12/h1-10,21-22H,(H,19,24)(H,20,23)/b15-9-,16-10+.
What are the key properties of (3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione?
(3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione has a molecular weight of 322.32 g/mol, XLogP of 0.13, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 6393556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).