(E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one

C24H19NO3 — CID 7947675

IUPAC(E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C24H19NO3/c1-2-25-20-6-4-3-5-18(20)19-13-16(7-10-21(19)25)8-11-22(26)17-9-12-23-24(14-17)28-15-27-23/h3-14H,2,15H2,1H3/b11-8+
InChIKeyMJAGNXUIBFGLQC-DHZHZOJOSA-N
MW369.42 g/mol
LogP5.44
Rot. Bonds4

About (E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one

(E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one (PubChem CID 7947675) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is (E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
PubChem CID7947675
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name(E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
SMILESCCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C24H19NO3/c1-2-25-20-6-4-3-5-18(20)19-13-16(7-10-21(19)25)8-11-22(26)17-9-12-23-24(14-17)28-15-27-23/h3-14H,2,15H2,1H3/b11-8+
InChIKeyMJAGNXUIBFGLQC-DHZHZOJOSA-N
XLogP5.44
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one (CID 7947675) is (E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one is CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc4c(c3)OCO4)ccc21.
What is the InChIKey of (E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
The InChIKey is MJAGNXUIBFGLQC-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H19NO3/c1-2-25-20-6-4-3-5-18(20)19-13-16(7-10-21(19)25)8-11-22(26)17-9-12-23-24(14-17)28-15-27-23/h3-14H,2,15H2,1H3/b11-8+.
What are the key properties of (E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one?
(E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one has a molecular weight of 369.42 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1,3-benzodioxol-5-yl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one is sourced from PubChem (CID 7947675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).