2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile

C15H15N3O2 — CID 118573169

IUPAC2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile
SMILESN#Cc1c(C=O)c(CN2CCOCC2)n2ccccc12
InChIInChI=1S/C15H15N3O2/c16-9-12-13(11-19)15(10-17-5-7-20-8-6-17)18-4-2-1-3-14(12)18/h1-4,11H,5-8,10H2
InChIKeySMBNRSPBGKBHMS-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.46
Rot. Bonds3

About 2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile

2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile (PubChem CID 118573169) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile
PubChem CID118573169
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile
SMILESN#Cc1c(C=O)c(CN2CCOCC2)n2ccccc12
InChIInChI=1S/C15H15N3O2/c16-9-12-13(11-19)15(10-17-5-7-20-8-6-17)18-4-2-1-3-14(12)18/h1-4,11H,5-8,10H2
InChIKeySMBNRSPBGKBHMS-UHFFFAOYSA-N
XLogP1.46
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde
CID 118572953
2-[(4-formylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
CID 62653943
1-methyl-2-(3-morpholin-4-ylprop-1-ynyl)indole-3-carbaldehyde
CID 13316100
2-[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028868
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863
pyrido[1,2-a]indole-10-carbonitrile
CID 66666977
2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile
CID 133462640
ethyl 1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate
CID 57436228
2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile
CID 2416574
2-fluoro-6-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]benzonitrile
CID 8569009
2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724674
2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
CID 95283741

Frequently Asked Questions

What is the IUPAC name of 2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile?
The IUPAC name of 2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile (CID 118573169) is 2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile.
What is the SMILES notation for 2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile?
The canonical SMILES for 2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile is N#Cc1c(C=O)c(CN2CCOCC2)n2ccccc12.
What is the InChIKey of 2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile?
The InChIKey is SMBNRSPBGKBHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-9-12-13(11-19)15(10-17-5-7-20-8-6-17)18-4-2-1-3-14(12)18/h1-4,11H,5-8,10H2.
What are the key properties of 2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile?
2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-3-(morpholin-4-ylmethyl)indolizine-1-carbonitrile is sourced from PubChem (CID 118573169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).