(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

C18H16N2O3 — CID 126154406

IUPAC(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C\c2c(OC)ccc3ccccc23)C1=O
InChIInChI=1S/C18H16N2O3/c1-3-10-20-17(21)15(19-18(20)22)11-14-13-7-5-4-6-12(13)8-9-16(14)23-2/h3-9,11H,1,10H2,2H3,(H,19,22)/b15-11-
InChIKeyYEDFQKYVGBVHMN-PTNGSMBKSA-N
MW308.34 g/mol
LogP2.93
Rot. Bonds4

About (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (PubChem CID 126154406) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
PubChem CID126154406
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C\c2c(OC)ccc3ccccc23)C1=O
InChIInChI=1S/C18H16N2O3/c1-3-10-20-17(21)15(19-18(20)22)11-14-13-7-5-4-6-12(13)8-9-16(14)23-2/h3-9,11H,1,10H2,2H3,(H,19,22)/b15-11-
InChIKeyYEDFQKYVGBVHMN-PTNGSMBKSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
CID 126025178
(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126148692
methyl 5-[[(4Z)-4-[(2-methoxynaphthalen-1-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 6278722
5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 5025593
5-[(3-chloro-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 4654737
(5E)-5-[(3-iodo-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126137128
(5E)-5-[[2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126140503
(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1359626
(5E)-5-[(3-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126145833
(5E)-5-[[3-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126129725
5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione
CID 139888147
(5E)-5-[[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126130367

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (CID 126154406) is (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)N/C(=C\c2c(OC)ccc3ccccc23)C1=O.
What is the InChIKey of (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is YEDFQKYVGBVHMN-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-3-10-20-17(21)15(19-18(20)22)11-14-13-7-5-4-6-12(13)8-9-16(14)23-2/h3-9,11H,1,10H2,2H3,(H,19,22)/b15-11-.
What are the key properties of (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 308.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 126154406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).