2-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde

C12H17NO — CID 135041964

IUPAC2-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde
SMILESCC[C@]1(CC=O)CCCn2cccc21
InChIInChI=1S/C12H17NO/c1-2-12(7-10-14)6-4-9-13-8-3-5-11(12)13/h3,5,8,10H,2,4,6-7,9H2,1H3/t12-/m1/s1
InChIKeyVQDGNAFBKWTFEX-GFCCVEGCSA-N
MW191.27 g/mol
LogP2.52
Rot. Bonds3

About 2-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde

2-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde (PubChem CID 135041964) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde
PubChem CID135041964
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde
SMILESCC[C@]1(CC=O)CCCn2cccc21
InChIInChI=1S/C12H17NO/c1-2-12(7-10-14)6-4-9-13-8-3-5-11(12)13/h3,5,8,10H,2,4,6-7,9H2,1H3/t12-/m1/s1
InChIKeyVQDGNAFBKWTFEX-GFCCVEGCSA-N
XLogP2.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.52
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-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde?
The IUPAC name of 2-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde (CID 135041964) is 2-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde.
What is the SMILES notation for 2-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde?
The canonical SMILES for 2-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde is CC[C@]1(CC=O)CCCn2cccc21.
What is the InChIKey of 2-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde?
The InChIKey is VQDGNAFBKWTFEX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-12(7-10-14)6-4-9-13-8-3-5-11(12)13/h3,5,8,10H,2,4,6-7,9H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde?
2-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde has a molecular weight of 191.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8R)-8-ethyl-6,7-dihydro-5H-indolizin-8-yl]acetaldehyde is sourced from PubChem (CID 135041964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).