2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde

C23H19NO — CID 3750993

IUPAC2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde
SMILESCCc1ccc2cc(-c3ccc4c5c(cccc35)CC4)c(C=O)n2c1
InChIInChI=1S/C23H19NO/c1-2-15-6-10-18-12-21(22(14-25)24(18)13-15)19-11-9-17-8-7-16-4-3-5-20(19)23(16)17/h3-6,9-14H,2,7-8H2,1H3
InChIKeyVJNKWMMKQSOCJH-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.23
Rot. Bonds3

About 2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde

2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde (PubChem CID 3750993) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde
PubChem CID3750993
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde
SMILESCCc1ccc2cc(-c3ccc4c5c(cccc35)CC4)c(C=O)n2c1
InChIInChI=1S/C23H19NO/c1-2-15-6-10-18-12-21(22(14-25)24(18)13-15)19-11-9-17-8-7-16-4-3-5-20(19)23(16)17/h3-6,9-14H,2,7-8H2,1H3
InChIKeyVJNKWMMKQSOCJH-UHFFFAOYSA-N
XLogP5.23
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde (CID 3750993) is 2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde is CCc1ccc2cc(-c3ccc4c5c(cccc35)CC4)c(C=O)n2c1.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde?
The InChIKey is VJNKWMMKQSOCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-2-15-6-10-18-12-21(22(14-25)24(18)13-15)19-11-9-17-8-7-16-4-3-5-20(19)23(16)17/h3-6,9-14H,2,7-8H2,1H3.
What are the key properties of 2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde?
2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde has a molecular weight of 325.41 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde is sourced from PubChem (CID 3750993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).