1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde

C11H16N2O2 — CID 66408586

IUPAC1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde
SMILESO=Cc1ccn(CCN2CCOCC2)c1
InChIInChI=1S/C11H16N2O2/c14-10-11-1-2-13(9-11)4-3-12-5-7-15-8-6-12/h1-2,9-10H,3-8H2
InChIKeyFGRLVJIPZRBLIQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.63
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde

1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde (PubChem CID 66408586) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde
PubChem CID66408586
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde
SMILESO=Cc1ccn(CCN2CCOCC2)c1
InChIInChI=1S/C11H16N2O2/c14-10-11-1-2-13(9-11)4-3-12-5-7-15-8-6-12/h1-2,9-10H,3-8H2
InChIKeyFGRLVJIPZRBLIQ-UHFFFAOYSA-N
XLogP0.63
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]methanol
CID 66398918
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde
CID 79182621
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130916
2-methyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66406201
2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117135596
1-[(1-methylpiperidin-4-yl)methyl]pyrrole-3-carbaldehyde
CID 164647901
1-(4,4,4-trifluorobutyl)pyrrole-3-carbaldehyde
CID 115515007
1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol
CID 79110104
N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine
CID 79099347
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
ethane;1-methylpyrrole-3-carbaldehyde
CID 159353582

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde?
The IUPAC name of 1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde (CID 66408586) is 1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde is O=Cc1ccn(CCN2CCOCC2)c1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde?
The InChIKey is FGRLVJIPZRBLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-11-1-2-13(9-11)4-3-12-5-7-15-8-6-12/h1-2,9-10H,3-8H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde?
1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde has a molecular weight of 208.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde is sourced from PubChem (CID 66408586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).