4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde

C11H14N2O3 — CID 22390986

IUPAC4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde
SMILESCc1cc(C=O)[nH]c1C(=O)N1CCOCC1
InChIInChI=1S/C11H14N2O3/c1-8-6-9(7-14)12-10(8)11(15)13-2-4-16-5-3-13/h6-7,12H,2-5H2,1H3
InChIKeyOJSKCRMLQCMIQQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.61
Rot. Bonds2

About 4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde

4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 22390986) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde
PubChem CID22390986
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde
SMILESCc1cc(C=O)[nH]c1C(=O)N1CCOCC1
InChIInChI=1S/C11H14N2O3/c1-8-6-9(7-14)12-10(8)11(15)13-2-4-16-5-3-13/h6-7,12H,2-5H2,1H3
InChIKeyOJSKCRMLQCMIQQ-UHFFFAOYSA-N
XLogP0.61
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde
CID 22391000
(3-amino-4-methylphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55151996
(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 131909764
(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110365079
(6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 113205390
(7-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 110849285
(5-methyl-1,2-thiazol-3-yl)-morpholin-4-ylmethanone
CID 84576851
(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone
CID 167445658
(3-ethenyl-4-methylphenyl)-morpholin-4-ylmethanone
CID 154827558
(1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 20719419
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde (CID 22390986) is 4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde is Cc1cc(C=O)[nH]c1C(=O)N1CCOCC1.
What is the InChIKey of 4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is OJSKCRMLQCMIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-6-9(7-14)12-10(8)11(15)13-2-4-16-5-3-13/h6-7,12H,2-5H2,1H3.
What are the key properties of 4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde?
4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 222.24 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 22390986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).