ethane;indolizine;indolizine-1-carbaldehyde

C25H38N2O — CID 158153526

IUPACethane;indolizine;indolizine-1-carbaldehyde
SMILESCC.CC.CC.CC.O=Cc1ccn2ccccc12.c1ccn2cccc2c1
InChIInChI=1S/C9H7NO.C8H7N.4C2H6/c11-7-8-4-6-10-5-2-1-3-9(8)10;1-2-6-9-7-3-5-8(9)4-1;4*1-2/h1-7H;1-7H;4*1-2H3
InChIKeyFVKGUCDDAASLBU-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.80
Rot. Bonds1

About ethane;indolizine;indolizine-1-carbaldehyde

ethane;indolizine;indolizine-1-carbaldehyde (PubChem CID 158153526) has the molecular formula C25H38N2O and a molecular weight of 382.59 g/mol. Its IUPAC name is ethane;indolizine;indolizine-1-carbaldehyde.

Molecular Properties

Compound Nameethane;indolizine;indolizine-1-carbaldehyde
PubChem CID158153526
Molecular FormulaC25H38N2O
Molecular Weight382.59 g/mol
Exact Mass382.30
IUPAC Nameethane;indolizine;indolizine-1-carbaldehyde
SMILESCC.CC.CC.CC.O=Cc1ccn2ccccc12.c1ccn2cccc2c1
InChIInChI=1S/C9H7NO.C8H7N.4C2H6/c11-7-8-4-6-10-5-2-1-3-9(8)10;1-2-6-9-7-3-5-8(9)4-1;4*1-2/h1-7H;1-7H;4*1-2H3
InChIKeyFVKGUCDDAASLBU-UHFFFAOYSA-N
XLogP7.80
TPSA25.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

indolizine
CID 9230
indolizine;toluene
CID 175477337
indolizine-7-carbaldehyde
CID 83679022
7-fluoroindolizine-1-carbaldehyde
CID 169202926
imidazo[1,5-a]pyridine-8-carbaldehyde
CID 10464459
2-benzofuran;1-benzothiophene;ethane;indolizine
CID 145202005
CID 136846530
CID 136846530
8-iodoindolizine
CID 134691902
1-chloroindole-3-carbaldehyde
CID 141112526
2-methylpyrazolo[1,5-a]pyridine-4-carbaldehyde
CID 59334634
3-chloro-4-oxoquinolizine-1-carbaldehyde
CID 82395533
N,N-diethyl-2-indolizin-1-ylethanamine
CID 169203234

Frequently Asked Questions

What is the IUPAC name of ethane;indolizine;indolizine-1-carbaldehyde?
The IUPAC name of ethane;indolizine;indolizine-1-carbaldehyde (CID 158153526) is ethane;indolizine;indolizine-1-carbaldehyde.
What is the SMILES notation for ethane;indolizine;indolizine-1-carbaldehyde?
The canonical SMILES for ethane;indolizine;indolizine-1-carbaldehyde is CC.CC.CC.CC.O=Cc1ccn2ccccc12.c1ccn2cccc2c1.
What is the InChIKey of ethane;indolizine;indolizine-1-carbaldehyde?
The InChIKey is FVKGUCDDAASLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.C8H7N.4C2H6/c11-7-8-4-6-10-5-2-1-3-9(8)10;1-2-6-9-7-3-5-8(9)4-1;4*1-2/h1-7H;1-7H;4*1-2H3.
What are the key properties of ethane;indolizine;indolizine-1-carbaldehyde?
ethane;indolizine;indolizine-1-carbaldehyde has a molecular weight of 382.59 g/mol, XLogP of 7.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;indolizine;indolizine-1-carbaldehyde is sourced from PubChem (CID 158153526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).