[(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate

C20H17N3O4 — CID 172916588

IUPAC[(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate
SMILES[H]/N=C1C(=N\OC(C)=O)\Oc2c\1ccc1c2c2cc(C(C)=O)ccc2n1CC
InChIInChI=1S/C20H17N3O4/c1-4-23-15-7-5-12(10(2)24)9-14(15)17-16(23)8-6-13-18(21)20(26-19(13)17)22-27-11(3)25/h5-9,21H,4H2,1-3H3/b21-18-,22-20-
InChIKeyLDDDNPQMICEPEV-MDYKPIANSA-N
MW363.37 g/mol
LogP3.65
Rot. Bonds3

About [(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate

[(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate (PubChem CID 172916588) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is [(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate.

Molecular Properties

Compound Name[(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate
PubChem CID172916588
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name[(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate
SMILES[H]/N=C1C(=N\OC(C)=O)\Oc2c\1ccc1c2c2cc(C(C)=O)ccc2n1CC
InChIInChI=1S/C20H17N3O4/c1-4-23-15-7-5-12(10(2)24)9-14(15)17-16(23)8-6-13-18(21)20(26-19(13)17)22-27-11(3)25/h5-9,21H,4H2,1-3H3/b21-18-,22-20-
InChIKeyLDDDNPQMICEPEV-MDYKPIANSA-N
XLogP3.65
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
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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Related Compounds

[4-[(2Z)-2-acetyloxyimino-6-ethyl-3-oxofuro[3,2-c]carbazole-9-carbonyl]phenyl] acetate
CID 58490017
[(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate
CID 58490060
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
[(E)-[16-(4-bromobenzoyl)-12-ethyl-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate
CID 58490096
[(Z)-[9-(4-bromo-2-methylbenzoyl)-6-ethylfuro[3,2-c]carbazol-3-ylidene]amino] acetate
CID 89104919
[(Z)-(6-benzoyl-9-ethyl-3-oxofuro[2,3-b]carbazol-2-ylidene)amino] acetate
CID 58490074
[(Z)-[6-ethyl-9-(pyridine-2-carbonyl)furo[3,2-c]carbazol-3-ylidene]amino] acetate
CID 89104974
1-(5-ethyl-11,11-dimethylindeno[1,2-b]carbazol-2-yl)ethanone
CID 130181656
1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone
CID 91317353
(E)-3-[6-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-9-ethylcarbazol-3-yl]-2-methylprop-2-enoic acid
CID 88880581
[4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
CID 156846404
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone;1,3,4-thiadiazol-2-amine
CID 174990905

Frequently Asked Questions

What is the IUPAC name of [(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate?
The IUPAC name of [(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate (CID 172916588) is [(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate.
What is the SMILES notation for [(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate?
The canonical SMILES for [(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate is [H]/N=C1C(=N\OC(C)=O)\Oc2c\1ccc1c2c2cc(C(C)=O)ccc2n1CC.
What is the InChIKey of [(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate?
The InChIKey is LDDDNPQMICEPEV-MDYKPIANSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-4-23-15-7-5-12(10(2)24)9-14(15)17-16(23)8-6-13-18(21)20(26-19(13)17)22-27-11(3)25/h5-9,21H,4H2,1-3H3/b21-18-,22-20-.
What are the key properties of [(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate?
[(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate has a molecular weight of 363.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(9-acetyl-6-ethyl-3-iminofuro[3,2-c]carbazol-2-ylidene)amino] acetate is sourced from PubChem (CID 172916588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).