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

C11H14N2O3 — CID 22391000

IUPAC3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde
SMILESCc1cc(C(=O)N2CCOCC2)[nH]c1C=O
InChIInChI=1S/C11H14N2O3/c1-8-6-9(12-10(8)7-14)11(15)13-2-4-16-5-3-13/h6-7,12H,2-5H2,1H3
InChIKeyNLNHAALZHPJWIW-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.61
Rot. Bonds2

About 3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde

3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 22391000) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde
PubChem CID22391000
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde
SMILESCc1cc(C(=O)N2CCOCC2)[nH]c1C=O
InChIInChI=1S/C11H14N2O3/c1-8-6-9(12-10(8)7-14)11(15)13-2-4-16-5-3-13/h6-7,12H,2-5H2,1H3
InChIKeyNLNHAALZHPJWIW-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'}

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Related Compounds

4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde
CID 22390986
(7-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 110849285
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone
CID 167445658
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one
CID 22118185
6-(morpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261416
(6-ethyl-7-fluoro-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 176934668
(5-methyl-1,2-thiazol-3-yl)-morpholin-4-ylmethanone
CID 84576851
[2-methyl-3-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 53139629
(1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 20719419
(3-ethenyl-4-methylphenyl)-morpholin-4-ylmethanone
CID 154827558

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde (CID 22391000) is 3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde is Cc1cc(C(=O)N2CCOCC2)[nH]c1C=O.
What is the InChIKey of 3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is NLNHAALZHPJWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-6-9(12-10(8)7-14)11(15)13-2-4-16-5-3-13/h6-7,12H,2-5H2,1H3.
What are the key properties of 3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde?
3-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 3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 22391000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).