(3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one

C14H15NO — CID 118029438

IUPAC(3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1C/C(=C\c2ccc(CC)cc2)C(=O)N1
InChIInChI=1S/C14H15NO/c1-3-11-4-6-12(7-5-11)9-13-8-10(2)15-14(13)16/h4-7,9H,2-3,8H2,1H3,(H,15,16)/b13-9+
InChIKeyHFHMYHGZGDYZRT-UKTHLTGXSA-N
MW213.28 g/mol
LogP2.67
Rot. Bonds2

About (3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one

(3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one (PubChem CID 118029438) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one
PubChem CID118029438
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1C/C(=C\c2ccc(CC)cc2)C(=O)N1
InChIInChI=1S/C14H15NO/c1-3-11-4-6-12(7-5-11)9-13-8-10(2)15-14(13)16/h4-7,9H,2-3,8H2,1H3,(H,15,16)/b13-9+
InChIKeyHFHMYHGZGDYZRT-UKTHLTGXSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one
CID 122707370
5-[[4-(4-ethylphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 141228477
(3Z,5Z)-1-ethyl-3,5-bis[(4-ethylphenyl)methylidene]piperidin-1-ium-4-one
CID 2393132
(5E)-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1271002
(2Z)-2-[(4-ethylphenyl)methylidene]-3H-inden-1-one
CID 2697157
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
(2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione
CID 24813629
(2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
CID 102535373
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 160654115
(3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione
CID 44627216
(3E)-5-bromo-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 756584
5-(2-chloroethyl)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 57001674

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one?
The IUPAC name of (3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one (CID 118029438) is (3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for (3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one?
The canonical SMILES for (3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one is C=C1C/C(=C\c2ccc(CC)cc2)C(=O)N1.
What is the InChIKey of (3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one?
The InChIKey is HFHMYHGZGDYZRT-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H15NO/c1-3-11-4-6-12(7-5-11)9-13-8-10(2)15-14(13)16/h4-7,9H,2-3,8H2,1H3,(H,15,16)/b13-9+.
What are the key properties of (3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one?
(3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-ethylphenyl)methylidene]-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 118029438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).