3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde

C20H20N2O — CID 118573390

IUPAC3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde
SMILESCN1CCCC1c1cccc(-c2c(C=O)cc3ccccn23)c1
InChIInChI=1S/C20H20N2O/c1-21-10-5-9-19(21)15-6-4-7-16(12-15)20-17(14-23)13-18-8-2-3-11-22(18)20/h2-4,6-8,11-14,19H,5,9-10H2,1H3
InChIKeyODILGBNRJZWCJQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.19
Rot. Bonds3

About 3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde

3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde (PubChem CID 118573390) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde.

Molecular Properties

Compound Name3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde
PubChem CID118573390
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde
SMILESCN1CCCC1c1cccc(-c2c(C=O)cc3ccccn23)c1
InChIInChI=1S/C20H20N2O/c1-21-10-5-9-19(21)15-6-4-7-16(12-15)20-17(14-23)13-18-8-2-3-11-22(18)20/h2-4,6-8,11-14,19H,5,9-10H2,1H3
InChIKeyODILGBNRJZWCJQ-UHFFFAOYSA-N
XLogP4.19
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.19
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

(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
CID 102036806
3-pyrazin-2-ylindolizine-2-carbaldehyde
CID 118572942
3-(1-methylpyrrolidin-2-yl)-5-phenylpyridine
CID 19694355
3-[6-(1-methylpiperidin-4-yl)oxypyridazin-3-yl]indolizine-2-carbaldehyde
CID 118573227
1-methyl-2-phenylazepane
CID 23447707
3-[4-amino-1-[1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118573218
formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175000566
4-(1-methylpiperidin-2-yl)benzaldehyde
CID 20725622
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
3-(2-methylindolizin-3-yl)benzoic acid
CID 116993636
1-methyl-2-phenylazetidine
CID 576373

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde?
The IUPAC name of 3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde (CID 118573390) is 3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde.
What is the SMILES notation for 3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde?
The canonical SMILES for 3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde is CN1CCCC1c1cccc(-c2c(C=O)cc3ccccn23)c1.
What is the InChIKey of 3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde?
The InChIKey is ODILGBNRJZWCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-21-10-5-9-19(21)15-6-4-7-16(12-15)20-17(14-23)13-18-8-2-3-11-22(18)20/h2-4,6-8,11-14,19H,5,9-10H2,1H3.
What are the key properties of 3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde?
3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde has a molecular weight of 304.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizine-2-carbaldehyde is sourced from PubChem (CID 118573390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).