[(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate

C25H18N2O5 — CID 58490074

IUPAC[(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate
SMILESCCn1c2ccc(C(=O)c3ccccc3)cc2c2cc3c(cc21)O/C(=N\OC(C)=O)C3=O
InChIInChI=1S/C25H18N2O5/c1-3-27-20-10-9-16(23(29)15-7-5-4-6-8-15)11-17(20)18-12-19-22(13-21(18)27)31-25(24(19)30)26-32-14(2)28/h4-13H,3H2,1-2H3/b26-25-
InChIKeyYJFSNFUGWNLAGS-QPLCGJKRSA-N
MW426.43 g/mol
LogP4.50
Rot. Bonds4

About [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate

[(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate (PubChem CID 58490074) has the molecular formula C25H18N2O5 and a molecular weight of 426.43 g/mol. Its IUPAC name is [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate.

Molecular Properties

Compound Name[(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate
PubChem CID58490074
Molecular FormulaC25H18N2O5
Molecular Weight426.43 g/mol
Exact Mass426.12
IUPAC Name[(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate
SMILESCCn1c2ccc(C(=O)c3ccccc3)cc2c2cc3c(cc21)O/C(=N\OC(C)=O)C3=O
InChIInChI=1S/C25H18N2O5/c1-3-27-20-10-9-16(23(29)15-7-5-4-6-8-15)11-17(20)18-12-19-22(13-21(18)27)31-25(24(19)30)26-32-14(2)28/h4-13H,3H2,1-2H3/b26-25-
InChIKeyYJFSNFUGWNLAGS-QPLCGJKRSA-N
XLogP4.50
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate?
The IUPAC name of [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate (CID 58490074) is [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate.
What is the SMILES notation for [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate?
The canonical SMILES for [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate is CCn1c2ccc(C(=O)c3ccccc3)cc2c2cc3c(cc21)O/C(=N\OC(C)=O)C3=O.
What is the InChIKey of [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate?
The InChIKey is YJFSNFUGWNLAGS-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H18N2O5/c1-3-27-20-10-9-16(23(29)15-7-5-4-6-8-15)11-17(20)18-12-19-22(13-21(18)27)31-25(24(19)30)26-32-14(2)28/h4-13H,3H2,1-2H3/b26-25-.
What are the key properties of [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate?
[(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate has a molecular weight of 426.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate is sourced from PubChem (CID 58490074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).