1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione

C13H13N3O3 — CID 18280814

IUPAC1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione
SMILESCOc1ccccc1/C=C/C=N/N1CC(=O)NC1=O
InChIInChI=1S/C13H13N3O3/c1-19-11-7-3-2-5-10(11)6-4-8-14-16-9-12(17)15-13(16)18/h2-8H,9H2,1H3,(H,15,17,18)/b6-4+,14-8+
InChIKeyKNOUCXHAGJGZJI-SITOFEAGSA-N
MW259.27 g/mol
LogP1.25
Rot. Bonds4

About 1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione

1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione (PubChem CID 18280814) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione
PubChem CID18280814
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione
SMILESCOc1ccccc1/C=C/C=N/N1CC(=O)NC1=O
InChIInChI=1S/C13H13N3O3/c1-19-11-7-3-2-5-10(11)6-4-8-14-16-9-12(17)15-13(16)18/h2-8H,9H2,1H3,(H,15,17,18)/b6-4+,14-8+
InChIKeyKNOUCXHAGJGZJI-SITOFEAGSA-N
XLogP1.25
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione
CID 129421603
4-[3-(2-methoxyphenyl)prop-2-enoyl]piperazine-2,6-dione
CID 77111354
3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
CID 2875481
6-amino-1-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-4-methylpyridin-2-one
CID 9024552
methyl 4-[[2-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]phenoxy]methyl]benzoate
CID 9350870
1-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]imidazolidine-2,4-dione
CID 9350990
N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine
CID 2868304
1-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9351018
(E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine
CID 101022978
N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline
CID 70554850
(Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine
CID 6862353
N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine;hydrochloride
CID 2868825

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione (CID 18280814) is 1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione is COc1ccccc1/C=C/C=N/N1CC(=O)NC1=O.
What is the InChIKey of 1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione?
The InChIKey is KNOUCXHAGJGZJI-SITOFEAGSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-11-7-3-2-5-10(11)6-4-8-14-16-9-12(17)15-13(16)18/h2-8H,9H2,1H3,(H,15,17,18)/b6-4+,14-8+.
What are the key properties of 1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione?
1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione has a molecular weight of 259.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione is sourced from PubChem (CID 18280814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).