(Z)-4-(2-methoxyanilino)pent-3-en-2-one

C12H15NO2 — CID 102222000

IUPAC(Z)-4-(2-methoxyanilino)pent-3-en-2-one
SMILESCOc1ccccc1N/C(C)=C\C(C)=O
InChIInChI=1S/C12H15NO2/c1-9(8-10(2)14)13-11-6-4-5-7-12(11)15-3/h4-8,13H,1-3H3/b9-8-
InChIKeyMLIZMSOQKFNZNR-HJWRWDBZSA-N
MW205.26 g/mol
LogP2.60
Rot. Bonds4

About (Z)-4-(2-methoxyanilino)pent-3-en-2-one

(Z)-4-(2-methoxyanilino)pent-3-en-2-one (PubChem CID 102222000) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (Z)-4-(2-methoxyanilino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(2-methoxyanilino)pent-3-en-2-one
PubChem CID102222000
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(Z)-4-(2-methoxyanilino)pent-3-en-2-one
SMILESCOc1ccccc1N/C(C)=C\C(C)=O
InChIInChI=1S/C12H15NO2/c1-9(8-10(2)14)13-11-6-4-5-7-12(11)15-3/h4-8,13H,1-3H3/b9-8-
InChIKeyMLIZMSOQKFNZNR-HJWRWDBZSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-3-methylbut-2-enamide
CID 19177446
3-(2-methoxyanilino)-1-pyridin-3-ylbut-2-en-1-one
CID 23988711
ethane;(2-methoxyphenyl)urea
CID 143063924
methyl (E)-4-(2-methoxyanilino)-4-oxobut-2-enoate
CID 851837
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
2-imino-N-(2-methoxyphenyl)acetamide
CID 145295181
methyl 4-methoxy-3-(2-methoxyanilino)but-2-enoate
CID 67832148
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
2-hydroxy-N-(2-methoxyphenyl)-2-methylpropanamide
CID 22287395
2-(4-acetamidophenyl)-N-(2-methoxyphenyl)acetamide
CID 17410326
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-methoxyanilino)pent-3-en-2-one?
The IUPAC name of (Z)-4-(2-methoxyanilino)pent-3-en-2-one (CID 102222000) is (Z)-4-(2-methoxyanilino)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-(2-methoxyanilino)pent-3-en-2-one?
The canonical SMILES for (Z)-4-(2-methoxyanilino)pent-3-en-2-one is COc1ccccc1N/C(C)=C\C(C)=O.
What is the InChIKey of (Z)-4-(2-methoxyanilino)pent-3-en-2-one?
The InChIKey is MLIZMSOQKFNZNR-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(8-10(2)14)13-11-6-4-5-7-12(11)15-3/h4-8,13H,1-3H3/b9-8-.
What are the key properties of (Z)-4-(2-methoxyanilino)pent-3-en-2-one?
(Z)-4-(2-methoxyanilino)pent-3-en-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-methoxyanilino)pent-3-en-2-one is sourced from PubChem (CID 102222000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).