(5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione

C9H14N2O2 — CID 70592329

IUPAC(5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione
SMILESC/C=C1/NC(=O)N(CCCC)C1=O
InChIInChI=1S/C9H14N2O2/c1-3-5-6-11-8(12)7(4-2)10-9(11)13/h4H,3,5-6H2,1-2H3,(H,10,13)/b7-4+
InChIKeyJNEDCXJXDUQZMQ-QPJJXVBHSA-N
MW182.22 g/mol
LogP1.24
Rot. Bonds3

About (5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione

(5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione (PubChem CID 70592329) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione
PubChem CID70592329
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione
SMILESC/C=C1/NC(=O)N(CCCC)C1=O
InChIInChI=1S/C9H14N2O2/c1-3-5-6-11-8(12)7(4-2)10-9(11)13/h4H,3,5-6H2,1-2H3,(H,10,13)/b7-4+
InChIKeyJNEDCXJXDUQZMQ-QPJJXVBHSA-N
XLogP1.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione?
The IUPAC name of (5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione (CID 70592329) is (5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione is C/C=C1/NC(=O)N(CCCC)C1=O.
What is the InChIKey of (5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione?
The InChIKey is JNEDCXJXDUQZMQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-5-6-11-8(12)7(4-2)10-9(11)13/h4H,3,5-6H2,1-2H3,(H,10,13)/b7-4+.
What are the key properties of (5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione?
(5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-butyl-5-ethylideneimidazolidine-2,4-dione is sourced from PubChem (CID 70592329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).