3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde

C14H16N2O2 — CID 118572953

IUPAC3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde
SMILESO=Cc1cc2ccccn2c1CN1CCOCC1
InChIInChI=1S/C14H16N2O2/c17-11-12-9-13-3-1-2-4-16(13)14(12)10-15-5-7-18-8-6-15/h1-4,9,11H,5-8,10H2
InChIKeyOOKBPKSYXDCSNK-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.58
Rot. Bonds3

About 3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde

3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde (PubChem CID 118572953) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde
PubChem CID118572953
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde
SMILESO=Cc1cc2ccccn2c1CN1CCOCC1
InChIInChI=1S/C14H16N2O2/c17-11-12-9-13-3-1-2-4-16(13)14(12)10-15-5-7-18-8-6-15/h1-4,9,11H,5-8,10H2
InChIKeyOOKBPKSYXDCSNK-UHFFFAOYSA-N
XLogP1.58
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde?
The IUPAC name of 3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde (CID 118572953) is 3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde?
The canonical SMILES for 3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde is O=Cc1cc2ccccn2c1CN1CCOCC1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde?
The InChIKey is OOKBPKSYXDCSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-11-12-9-13-3-1-2-4-16(13)14(12)10-15-5-7-18-8-6-15/h1-4,9,11H,5-8,10H2.
What are the key properties of 3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde?
3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde has a molecular weight of 244.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde is sourced from PubChem (CID 118572953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).