2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile

C14H16N3O+ — CID 2416574

IUPAC2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile
SMILESN#Cc1c(C[NH+]2CCOCC2)cn2ccccc12
InChIInChI=1S/C14H15N3O/c15-9-13-12(10-16-5-7-18-8-6-16)11-17-4-2-1-3-14(13)17/h1-4,11H,5-8,10H2/p+1
InChIKeyFCFBYVZBPARDJN-UHFFFAOYSA-O
MW242.30 g/mol
LogP0.23
Rot. Bonds2

About 2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile

2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile (PubChem CID 2416574) has the molecular formula C14H16N3O+ and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile
PubChem CID2416574
Molecular FormulaC14H16N3O+
Molecular Weight242.30 g/mol
Exact Mass242.13
IUPAC Name2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile
SMILESN#Cc1c(C[NH+]2CCOCC2)cn2ccccc12
InChIInChI=1S/C14H15N3O/c15-9-13-12(10-16-5-7-18-8-6-16)11-17-4-2-1-3-14(13)17/h1-4,11H,5-8,10H2/p+1
InChIKeyFCFBYVZBPARDJN-UHFFFAOYSA-O
XLogP0.23
TPSA41.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Morpholinomethyl)indole
CID 21477
5-Vinyl-3-pyridinecarbonitrile, 11a
CID 44253664
5-Vinyl-3-pyridinecarbonitrile, 11b
CID 44253795
5-Vinyl-3-pyridinecarbonitrile, 11c
CID 44473008
(1H-indol-3-yl)(morpholino)methanethione
CID 391442
3-(3-morpholinocyclopentyl)-1H-indole-5-carbonitrile
CID 10379775
4-methyl-N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol-3-yl}methyl)aniline, 10
CID 44603604
N-[(E)-1H-indol-3-ylmethylidene]-4-(morpholin-4-yl)aniline
CID 1943162
3-(2-(4-methylmorpholin-3-yl)ethyl)-1H-indole-5-carbonitrile
CID 46230887
N-[2-(1H-indol-3-yl)ethyl]-4-(morpholin-4-ylmethyl)aniline
CID 46866437
N-[3-(1H-indol-3-yl)propyl]-4-(morpholin-4-ylmethyl)aniline
CID 46866438
2-[[4-(2-Phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 51111982

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile?
The IUPAC name of 2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile (CID 2416574) is 2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile.
What is the SMILES notation for 2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile?
The canonical SMILES for 2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile is N#Cc1c(C[NH+]2CCOCC2)cn2ccccc12.
What is the InChIKey of 2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile?
The InChIKey is FCFBYVZBPARDJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15N3O/c15-9-13-12(10-16-5-7-18-8-6-16)11-17-4-2-1-3-14(13)17/h1-4,11H,5-8,10H2/p+1.
What are the key properties of 2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile?
2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile has a molecular weight of 242.30 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ium-4-ylmethyl)indolizine-1-carbonitrile is sourced from PubChem (CID 2416574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).