2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde

C12H17NO — CID 165492117

IUPAC2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde
SMILESCC(C)c1cc2n(c1C=O)CCCC2
InChIInChI=1S/C12H17NO/c1-9(2)11-7-10-5-3-4-6-13(10)12(11)8-14/h7-9H,3-6H2,1-2H3
InChIKeyLBVFMXZAYCDRCX-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.76
Rot. Bonds2

About 2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde

2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde (PubChem CID 165492117) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde
PubChem CID165492117
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde
SMILESCC(C)c1cc2n(c1C=O)CCCC2
InChIInChI=1S/C12H17NO/c1-9(2)11-7-10-5-3-4-6-13(10)12(11)8-14/h7-9H,3-6H2,1-2H3
InChIKeyLBVFMXZAYCDRCX-UHFFFAOYSA-N
XLogP2.76
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde?
The IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde (CID 165492117) is 2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde.
What is the SMILES notation for 2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde?
The canonical SMILES for 2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde is CC(C)c1cc2n(c1C=O)CCCC2.
What is the InChIKey of 2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde?
The InChIKey is LBVFMXZAYCDRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)11-7-10-5-3-4-6-13(10)12(11)8-14/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde?
2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde has a molecular weight of 191.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,8-tetrahydroindolizine-3-carbaldehyde is sourced from PubChem (CID 165492117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).