ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione

C17H20N2O2 — CID 145280324

IUPACethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione
SMILESC=C/C=C(\C=C)C1(c2ccccc2)NC(=O)NC1=O.CC
InChIInChI=1S/C15H14N2O2.C2H6/c1-3-8-11(4-2)15(12-9-6-5-7-10-12)13(18)16-14(19)17-15;1-2/h3-10H,1-2H2,(H2,16,17,18,19);1-2H3/b11-8+;
InChIKeyLJJHPENXZHLXMQ-YGCVIUNWSA-N
MW284.36 g/mol
LogP3.05
Rot. Bonds4

About ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione

ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione (PubChem CID 145280324) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Nameethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione
PubChem CID145280324
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione
SMILESC=C/C=C(\C=C)C1(c2ccccc2)NC(=O)NC1=O.CC
InChIInChI=1S/C15H14N2O2.C2H6/c1-3-8-11(4-2)15(12-9-6-5-7-10-12)13(18)16-14(19)17-15;1-2/h3-10H,1-2H2,(H2,16,17,18,19);1-2H3/b11-8+;
InChIKeyLJJHPENXZHLXMQ-YGCVIUNWSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione (CID 145280324) is ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione is C=C/C=C(\C=C)C1(c2ccccc2)NC(=O)NC1=O.CC.
What is the InChIKey of ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is LJJHPENXZHLXMQ-YGCVIUNWSA-N. The full InChI is InChI=1S/C15H14N2O2.C2H6/c1-3-8-11(4-2)15(12-9-6-5-7-10-12)13(18)16-14(19)17-15;1-2/h3-10H,1-2H2,(H2,16,17,18,19);1-2H3/b11-8+;.
What are the key properties of ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione?
ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 284.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 145280324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).