ethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate

C24H25NO4 — CID 54043684

IUPACethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc2c(c1)c1cc(C=CC(=O)OCC)ccc1n2CC
InChIInChI=1S/C24H25NO4/c1-4-25-21-11-7-17(9-13-23(26)28-5-2)15-19(21)20-16-18(8-12-22(20)25)10-14-24(27)29-6-3/h7-16H,4-6H2,1-3H3
InChIKeyLOBZSMKRDGQPMB-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.97
Rot. Bonds7

About ethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate

ethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate (PubChem CID 54043684) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate
PubChem CID54043684
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Nameethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc2c(c1)c1cc(C=CC(=O)OCC)ccc1n2CC
InChIInChI=1S/C24H25NO4/c1-4-25-21-11-7-17(9-13-23(26)28-5-2)15-19(21)20-16-18(8-12-22(20)25)10-14-24(27)29-6-3/h7-16H,4-6H2,1-3H3
InChIKeyLOBZSMKRDGQPMB-UHFFFAOYSA-N
XLogP4.97
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate?
The IUPAC name of ethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate (CID 54043684) is ethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate?
The canonical SMILES for ethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate is CCOC(=O)C=Cc1ccc2c(c1)c1cc(C=CC(=O)OCC)ccc1n2CC.
What is the InChIKey of ethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate?
The InChIKey is LOBZSMKRDGQPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-4-25-21-11-7-17(9-13-23(26)28-5-2)15-19(21)20-16-18(8-12-22(20)25)10-14-24(27)29-6-3/h7-16H,4-6H2,1-3H3.
What are the key properties of ethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate?
ethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate has a molecular weight of 391.47 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[6-(3-ethoxy-3-oxoprop-1-enyl)-9-ethylcarbazol-3-yl]prop-2-enoate is sourced from PubChem (CID 54043684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).