[4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate

C27H20N2O7 — CID 58490017

IUPAC[4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate
SMILESCCn1c2ccc(C(=O)c3ccc(OC(C)=O)cc3)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)O3
InChIInChI=1S/C27H20N2O7/c1-4-29-21-11-7-17(24(32)16-5-8-18(9-6-16)34-14(2)30)13-20(21)23-22(29)12-10-19-25(33)27(35-26(19)23)28-36-15(3)31/h5-13H,4H2,1-3H3/b28-27-
InChIKeyOVNJHINLYCTWBS-DQSJHHFOSA-N
MW484.46 g/mol
LogP4.42
Rot. Bonds5

About [4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate

[4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate (PubChem CID 58490017) has the molecular formula C27H20N2O7 and a molecular weight of 484.46 g/mol. Its IUPAC name is [4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate
PubChem CID58490017
Molecular FormulaC27H20N2O7
Molecular Weight484.46 g/mol
Exact Mass484.13
IUPAC Name[4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate
SMILESCCn1c2ccc(C(=O)c3ccc(OC(C)=O)cc3)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)O3
InChIInChI=1S/C27H20N2O7/c1-4-29-21-11-7-17(24(32)16-5-8-18(9-6-16)34-14(2)30)13-20(21)23-22(29)12-10-19-25(33)27(35-26(19)23)28-36-15(3)31/h5-13H,4H2,1-3H3/b28-27-
InChIKeyOVNJHINLYCTWBS-DQSJHHFOSA-N
XLogP4.42
TPSA113.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate?
The IUPAC name of [4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate (CID 58490017) is [4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate.
What is the SMILES notation for [4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate?
The canonical SMILES for [4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate is CCn1c2ccc(C(=O)c3ccc(OC(C)=O)cc3)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)O3.
What is the InChIKey of [4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate?
The InChIKey is OVNJHINLYCTWBS-DQSJHHFOSA-N. The full InChI is InChI=1S/C27H20N2O7/c1-4-29-21-11-7-17(24(32)16-5-8-18(9-6-16)34-14(2)30)13-20(21)23-22(29)12-10-19-25(33)27(35-26(19)23)28-36-15(3)31/h5-13H,4H2,1-3H3/b28-27-.
What are the key properties of [4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate?
[4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate has a molecular weight of 484.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate is sourced from PubChem (CID 58490017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).