[(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate

C13H15NO4 — CID 6160056

IUPAC[(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate
SMILESCOc1ccc2c(c1)OC(C)C/C2=N/OC(C)=O
InChIInChI=1S/C13H15NO4/c1-8-6-12(14-18-9(2)15)11-5-4-10(16-3)7-13(11)17-8/h4-5,7-8H,6H2,1-3H3/b14-12-
InChIKeyGXEXGWJEHNFOMV-OWBHPGMISA-N
MW249.27 g/mol
LogP2.13
Rot. Bonds2

About [(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate

[(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate (PubChem CID 6160056) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is [(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate.

Molecular Properties

Compound Name[(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate
PubChem CID6160056
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name[(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate
SMILESCOc1ccc2c(c1)OC(C)C/C2=N/OC(C)=O
InChIInChI=1S/C13H15NO4/c1-8-6-12(14-18-9(2)15)11-5-4-10(16-3)7-13(11)17-8/h4-5,7-8H,6H2,1-3H3/b14-12-
InChIKeyGXEXGWJEHNFOMV-OWBHPGMISA-N
XLogP2.13
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[(2R)-7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene]amino] thiophene-2-carboxylate
CID 40545804
[(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] thiophene-2-carboxylate
CID 3855654
[(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] 2-bromobenzoate
CID 3930546
[(E)-[(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene]amino] 4-nitrobenzoate
CID 41314563
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
[(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 4-methoxybenzoate
CID 754830
[(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate
CID 5441594
[(E)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,4,5-trimethoxybenzoate
CID 5347342
methyl 4-[(2R)-7-methoxy-4-phenylmethoxyimino-2,3-dihydrochromen-2-yl]benzoate
CID 121301448
4-[(4Z)-4-hydroxyimino-7-methoxy-2,3-dihydrochromen-2-yl]benzene-1,2-diol
CID 118728479
(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297098
methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate
CID 142736946

Frequently Asked Questions

What is the IUPAC name of [(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate?
The IUPAC name of [(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate (CID 6160056) is [(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate.
What is the SMILES notation for [(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate?
The canonical SMILES for [(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate is COc1ccc2c(c1)OC(C)C/C2=N/OC(C)=O.
What is the InChIKey of [(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate?
The InChIKey is GXEXGWJEHNFOMV-OWBHPGMISA-N. The full InChI is InChI=1S/C13H15NO4/c1-8-6-12(14-18-9(2)15)11-5-4-10(16-3)7-13(11)17-8/h4-5,7-8H,6H2,1-3H3/b14-12-.
What are the key properties of [(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate?
[(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate has a molecular weight of 249.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(7-methoxy-2-methyl-2,3-dihydrochromen-4-ylidene)amino] acetate is sourced from PubChem (CID 6160056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).