lithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine

C40H69AlLiN3O2 — CID 159517349

IUPAClithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine
SMILESC.CC.CC.CC.CC.CC.CC.Cc1ccn2ccccc12.O=Cc1ccn2ccccc12.OCc1ccn2ccccc12.[AlH3].[H-].[Li+]
InChIInChI=1S/C9H9NO.C9H7NO.C9H9N.6C2H6.CH4.Al.Li.4H/c2*11-7-8-4-6-10-5-2-1-3-9(8)10;1-8-5-7-10-6-3-2-4-9(8)10;6*1-2;;;;;;;/h1-6,11H,7H2;1-7H;2-7H,1H3;6*1-2H3;1H4;;;;;;/q;;;;;;;;;;;+1;;;;-1
InChIKeyFZLKSDVTGKEVCF-UHFFFAOYSA-N
MW657.93 g/mol
LogP8.16
Rot. Bonds2

About lithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine

lithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine (PubChem CID 159517349) has the molecular formula C40H69AlLiN3O2 and a molecular weight of 657.93 g/mol. Its IUPAC name is lithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine.

Molecular Properties

Compound Namelithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine
PubChem CID159517349
Molecular FormulaC40H69AlLiN3O2
Molecular Weight657.93 g/mol
Exact Mass657.54
IUPAC Namelithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine
SMILESC.CC.CC.CC.CC.CC.CC.Cc1ccn2ccccc12.O=Cc1ccn2ccccc12.OCc1ccn2ccccc12.[AlH3].[H-].[Li+]
InChIInChI=1S/C9H9NO.C9H7NO.C9H9N.6C2H6.CH4.Al.Li.4H/c2*11-7-8-4-6-10-5-2-1-3-9(8)10;1-8-5-7-10-6-3-2-4-9(8)10;6*1-2;;;;;;;/h1-6,11H,7H2;1-7H;2-7H,1H3;6*1-2H3;1H4;;;;;;/q;;;;;;;;;;;+1;;;;-1
InChIKeyFZLKSDVTGKEVCF-UHFFFAOYSA-N
XLogP8.16
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.93
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate
CID 102443384
2-[2-[2-(Indolizine-1-carbonyloxy)ethoxy]ethoxy]ethyl 7-methylindolizine-1-carboxylate
CID 135076779
7-Hydroxymethyl-3-(2-methyl-pyridin-4-yl)-indolizine-2-carboxylic acid ethyl ester
CID 67036493
7-Hydroxymethyl-3-pyridin-3-yl-indolizine-2-carboxylic acid ethyl ester
CID 67036517
7-Hydroxymethyl-3-(6-methyl-pyridin-3-yl)-indolizine-2-carboxylic acid ethyl ester
CID 67036536
6-[[4,7-Bis[[6-carboxy-4-(3-carboxy-1-methylpyrrol-2-yl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-(3-carboxy-1-methylpyrrol-2-yl)pyridine-2-carboxylic acid
CID 87553414
3-(2-Methyl-4-pyridinyl)-7-(methylsulfonyloxymethyl)indolizine-2-carboxylic acid
CID 89314552
1-Ethyl-6-methylindole-3-carbaldehyde;1-ethyl-6-methylindole-3-carboxylic acid
CID 123617905
3-(1-Ethoxycarbonylindolizin-3-yl)indolizine-1-carboxylic acid
CID 141171669
3-[1-(3-Phenylpropoxycarbonyl)indolizin-3-yl]indolizine-1-carboxylic acid
CID 141171671
3-(1-Ethoxycarbonyl-7-methylindolizin-3-yl)-7-methylindolizine-1-carboxylic acid
CID 141171677
3-[(1-Carboxyindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid
CID 141317091

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine?
The IUPAC name of lithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine (CID 159517349) is lithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine.
What is the SMILES notation for lithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine?
The canonical SMILES for lithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine is C.CC.CC.CC.CC.CC.CC.Cc1ccn2ccccc12.O=Cc1ccn2ccccc12.OCc1ccn2ccccc12.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine?
The InChIKey is FZLKSDVTGKEVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C9H7NO.C9H9N.6C2H6.CH4.Al.Li.4H/c2*11-7-8-4-6-10-5-2-1-3-9(8)10;1-8-5-7-10-6-3-2-4-9(8)10;6*1-2;;;;;;;/h1-6,11H,7H2;1-7H;2-7H,1H3;6*1-2H3;1H4;;;;;;/q;;;;;;;;;;;+1;;;;-1.
What are the key properties of lithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine?
lithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine has a molecular weight of 657.93 g/mol, XLogP of 8.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;ethane;hydride;indolizine-1-carbaldehyde;indolizin-1-ylmethanol;methane;1-methylindolizine is sourced from PubChem (CID 159517349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).