(5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione

C16H18N2O2 — CID 156556390

IUPAC(5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione
SMILESC/C=c1/cccc/c1=C(C)\C=C1/NC(=O)N(CC)C1=O
InChIInChI=1S/C16H18N2O2/c1-4-12-8-6-7-9-13(12)11(3)10-14-15(19)18(5-2)16(20)17-14/h4,6-10H,5H2,1-3H3,(H,17,20)/b12-4-,13-11+,14-10-
InChIKeyFWPACIBXSLCHDB-BKGONOEZSA-N
MW270.33 g/mol
LogP1.11
Rot. Bonds2

About (5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione

(5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione (PubChem CID 156556390) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione
PubChem CID156556390
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione
SMILESC/C=c1/cccc/c1=C(C)\C=C1/NC(=O)N(CC)C1=O
InChIInChI=1S/C16H18N2O2/c1-4-12-8-6-7-9-13(12)11(3)10-14-15(19)18(5-2)16(20)17-14/h4,6-10H,5H2,1-3H3,(H,17,20)/b12-4-,13-11+,14-10-
InChIKeyFWPACIBXSLCHDB-BKGONOEZSA-N
XLogP1.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.11
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 (5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione (CID 156556390) is (5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione is C/C=c1/cccc/c1=C(C)\C=C1/NC(=O)N(CC)C1=O.
What is the InChIKey of (5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione?
The InChIKey is FWPACIBXSLCHDB-BKGONOEZSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-12-8-6-7-9-13(12)11(3)10-14-15(19)18(5-2)16(20)17-14/h4,6-10H,5H2,1-3H3,(H,17,20)/b12-4-,13-11+,14-10-.
What are the key properties of (5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione?
(5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 156556390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).