8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one

C14H16N2O4 — CID 45034929

IUPAC8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one
SMILESCOc1ccc(N/N=C(/C)C(C)=O)c2c1OCCC2=O
InChIInChI=1S/C14H16N2O4/c1-8(9(2)17)15-16-10-4-5-12(19-3)14-13(10)11(18)6-7-20-14/h4-5,16H,6-7H2,1-3H3/b15-8-
InChIKeyOLOJCXARQIRKKH-NVNXTCNLSA-N
MW276.29 g/mol
LogP2.04
Rot. Bonds4

About 8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one

8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one (PubChem CID 45034929) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one
PubChem CID45034929
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one
SMILESCOc1ccc(N/N=C(/C)C(C)=O)c2c1OCCC2=O
InChIInChI=1S/C14H16N2O4/c1-8(9(2)17)15-16-10-4-5-12(19-3)14-13(10)11(18)6-7-20-14/h4-5,16H,6-7H2,1-3H3/b15-8-
InChIKeyOLOJCXARQIRKKH-NVNXTCNLSA-N
XLogP2.04
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one?
The IUPAC name of 8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one (CID 45034929) is 8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one is COc1ccc(N/N=C(/C)C(C)=O)c2c1OCCC2=O.
What is the InChIKey of 8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one?
The InChIKey is OLOJCXARQIRKKH-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(9(2)17)15-16-10-4-5-12(19-3)14-13(10)11(18)6-7-20-14/h4-5,16H,6-7H2,1-3H3/b15-8-.
What are the key properties of 8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one?
8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one has a molecular weight of 276.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 45034929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).